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- PDB-5t11: PelC L103M dodecamer from Paraburkholderia phytofirmans, space gr... -

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Basic information

Entry
Database: PDB / ID: 5t11
TitlePelC L103M dodecamer from Paraburkholderia phytofirmans, space group C2
ComponentsUncharacterized protein
KeywordsUNKNOWN FUNCTION / periplasmic / lipoprotein
Function / homologyPenicillin-binding protein activator LpoB / Peptidoglycan-synthase activator LpoB / Prokaryotic membrane lipoprotein lipid attachment site profile. / Lipoprotein
Function and homology information
Biological speciesParaburkholderia phytofirmans (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2.104 Å
AuthorsMarmont, L.S. / Howell, P.L.
CitationJournal: Proc. Natl. Acad. Sci. U.S.A. / Year: 2017
Title: Oligomeric lipoprotein PelC guides Pel polysaccharide export across the outer membrane of Pseudomonas aeruginosa.
Authors: Marmont, L.S. / Rich, J.D. / Whitney, J.C. / Whitfield, G.B. / Almblad, H. / Robinson, H. / Parsek, M.R. / Harrison, J.J. / Howell, P.L.
History
DepositionAug 17, 2016Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 15, 2017Provider: repository / Type: Initial release
Revision 1.1Mar 29, 2017Group: Database references

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Uncharacterized protein
B: Uncharacterized protein
C: Uncharacterized protein
D: Uncharacterized protein
E: Uncharacterized protein
F: Uncharacterized protein
G: Uncharacterized protein
H: Uncharacterized protein
I: Uncharacterized protein
J: Uncharacterized protein
K: Uncharacterized protein
L: Uncharacterized protein


Theoretical massNumber of molelcules
Total (without water)203,00912
Polymers203,00912
Non-polymers00
Water11,746652
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area22360 Å2
ΔGint-80 kcal/mol
Surface area63080 Å2
MethodPISA
Unit cell
Length a, b, c (Å)141.279, 167.197, 94.182
Angle α, β, γ (deg.)90.00, 104.15, 90.00
Int Tables number5
Space group name H-MC121

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Components

#1: Protein
Uncharacterized protein


Mass: 16917.375 Da / Num. of mol.: 12 / Mutation: L103M
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Paraburkholderia phytofirmans (bacteria)
Strain: DSM 17436 / LMG 22146 / PsJN / Gene: Bphyt_1493 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: B2T2U6
#2: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 652 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.72 Å3/Da / Density % sol: 54.73 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / Details: 1.45 M ammonium sulfate, 0.1 M MES pH 5.7

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: NSLS / Beamline: X29A / Wavelength: 0.979 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Jan 14, 2013
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979 Å / Relative weight: 1
ReflectionResolution: 2.1→50 Å / Num. obs: 122137 / % possible obs: 99.2 % / Redundancy: 7.6 % / Rmerge(I) obs: 0.095 / Net I/σ(I): 27
Reflection shellResolution: 2.1→2.18 Å / Redundancy: 6.5 % / Rmerge(I) obs: 0.72 / % possible all: 92.7

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Processing

Software
NameVersionClassification
PHENIX(1.10_2155: ???)refinement
DENZOdata reduction
SCALEPACKdata scaling
HKL-3000phasing
RefinementResolution: 2.104→49.316 Å / SU ML: 0.23 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 26.14 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2341 1862 1.67 %
Rwork0.1933 --
obs0.1939 111829 91.38 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.104→49.316 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11693 0 0 652 12345
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00711883
X-RAY DIFFRACTIONf_angle_d0.78816242
X-RAY DIFFRACTIONf_dihedral_angle_d11.6566940
X-RAY DIFFRACTIONf_chiral_restr0.0541956
X-RAY DIFFRACTIONf_plane_restr0.0052083
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.1041-2.1610.30411140.23776823X-RAY DIFFRACTION74
2.161-2.22460.28731220.23637565X-RAY DIFFRACTION82
2.2246-2.29640.27521370.2217759X-RAY DIFFRACTION84
2.2964-2.37850.27511410.21158023X-RAY DIFFRACTION86
2.3785-2.47370.25871430.19698188X-RAY DIFFRACTION89
2.4737-2.58630.25281360.20158325X-RAY DIFFRACTION90
2.5863-2.72270.2621490.20328652X-RAY DIFFRACTION93
2.7227-2.89320.27481480.19528788X-RAY DIFFRACTION95
2.8932-3.11660.23581520.19558951X-RAY DIFFRACTION97
3.1166-3.43010.22121540.19419098X-RAY DIFFRACTION98
3.4301-3.92630.20551540.17959224X-RAY DIFFRACTION99
3.9263-4.9460.20521550.16599232X-RAY DIFFRACTION100
4.946-49.32990.23361570.20389339X-RAY DIFFRACTION100
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
15.1781-3.4083-4.3422.34392.7863.68810.78441.34460.206-2.3051-1.35871.4581-0.1540.30380.53811.16450.1599-0.08620.5077-0.04130.68367.996183.12119.8916
22.79951.73572.87054.25263.68894.0703-0.4253-0.19710.56010.77430.1544-0.1676-0.9414-0.3120.34690.70670.0585-0.06210.3255-0.17310.501471.639789.107726.2352
36.5628-4.4954-3.96864.2942.90732.4383-0.0433-0.5075-0.73350.6839-0.51810.28170.10570.21110.61280.4692-0.0242-0.02470.324-0.00590.264865.578567.741824.3772
49.47326.11762.79974.07552.00031.11590.1583-0.47920.32330.3356-0.2419-0.0205-0.0847-0.08970.09210.59640.02-0.05740.3439-0.07280.31476.200379.459525.9111
58.5851-1.2991-4.13346.2567-2.61583.7965-0.5204-0.96291.12350.6292-0.6781-0.5506-0.5454-0.22550.06260.6954-0.0767-0.05390.4711-0.28840.167675.764486.4832.2719
63.91810.79141.29823.51190.54123.1562-0.0659-0.41650.26520.3832-0.01090.1711-0.23010.1397-0.03760.47160.0106-0.0120.3298-0.04120.162469.575377.099223.4968
76.1038-2.1753-2.0563.92774.77465.6042-0.2663-0.03430.2568-0.2387-0.3230.9781-0.4446-0.24120.50650.55420.0348-0.09230.2518-0.06010.35867.055481.820220.8811
82.82581.90163.35328.05082.71654.0306-0.3699-0.15960.82210.0006-0.34220.7201-0.3979-0.61280.59790.52190.0862-0.06330.3704-0.0840.40165.718387.29620.8138
95.75530.41152.47485.94144.20845.83810.13570.57570.0577-0.66140.1064-0.2358-0.29420.6447-0.28360.5483-0.02270.00760.35670.02080.218276.374978.546914.2297
108.96814.5477-5.41529.09792.09466.7766-0.64372.33291.15090.3373-0.46641.74891.36690.94621.17360.90280.2695-0.13980.6919-0.04650.611147.187677.91942.8407
112.21650.48270.44637.96613.41461.4619-0.1562-0.21570.9140.2181-0.21770.4825-0.8768-0.50390.36050.65870.1441-0.05010.3716-0.15250.642448.028288.170317.991
126.1502-5.073.09274.5784-4.10477.4995-0.5376-0.2558-0.49460.77410.12760.86450.04490.04260.50780.41690.0605-0.0340.3077-0.04520.445752.852866.180619.6979
135.233-1.34691.42857.7604-2.74382.1529-0.1518-0.46910.66370.0907-0.1074-0.6041-0.35180.09620.22210.60170.0805-0.04050.3677-0.11920.417256.680681.615718.7467
148.0797-0.2331-2.59795.1351-1.31496.3607-0.116-0.82050.6911.1522-0.13590.0716-1.0425-0.0059-0.06120.54920.1818-0.07990.3506-0.15250.479151.933686.207624.9935
155.0624-1.48431.82788.5726-4.47462.6504-0.3948-1.44780.55770.91030.6640.8527-0.8731-1.4818-0.10020.73250.27440.02930.8463-0.22660.645945.416287.961829.6705
163.771-0.9645-0.44723.49070.15071.9993-0.01450.09140.16470.366-0.04770.3262-0.20050.01450.06460.45870.0667-0.07170.2559-0.04780.266951.015774.167315.4106
179.3045-6.878-2.9987.89182.33213.2345-0.00820.17090.095-0.26990.00930.173-0.2508-0.07910.00190.49790.0573-0.11380.3176-0.07750.328152.828971.60910.8428
188.1168-5.4698-3.18714.51074.58967.99640.27270.44170.299-0.406-0.66770.1338-0.7344-0.82140.3760.60730.0233-0.04570.2661-0.02980.432943.912482.501113.122
195.3007-2.08970.17057.37721.94364.11120.06710.55070.4263-0.622-0.0935-0.0755-0.27520.2331-0.03120.48090.0319-0.02590.33230.0130.258257.721878.62587.4743
208.1694-0.01344.45081.6366-0.78393.4122-0.1370.07740.33620.5927-0.0944-0.5775-0.45530.45380.25610.8098-0.1267-0.29080.544-0.0430.5076104.229358.107435.5076
216.40564.50644.48735.24574.90324.5912-0.5633-0.73750.12070.62180.17070.3631-0.2015-0.14740.38370.5236-0.0251-0.00550.3451-0.0040.206585.168251.262631.5854
225.97891.3693.05693.5907-0.7114.31220.3234-0.459-0.64580.7672-0.1248-0.63640.0747-0.0326-0.18540.6233-0.0161-0.24230.38590.030.4336100.420848.082134.7881
234.4383-1.5664-4.3966.96860.68256.9739-0.5395-0.26820.78951.29110.5591-1.05720.59730.442-0.00690.86050.0106-0.37980.55820.04970.5699104.130949.371542.8428
248.7012-3.2813-0.80787.8107-6.03078.7560.4619-1.3982-0.03781.27070.7480.42750.5433-0.3264-0.83171.2953-0.1509-0.44721.03820.15890.6023104.479554.967950.6351
254.91321.04644.01261.61171.90246.246-0.1605-0.52270.21710.54790.0152-0.3696-0.3601-0.1670.19560.6609-0.0103-0.18070.3227-0.01170.300593.867754.587531.0864
265.09494.87642.37247.49380.73222.6581-0.13350.57230.5262-1.2865-0.24010.6309-0.6616-0.01080.33540.6562-0.0245-0.11770.32-0.06590.33585.125748.109714.1606
276.97082.68245.08261.38741.90453.74120.5018-0.9184-0.18050.8554-0.1405-0.88790.2425-0.1861-0.21440.7031-0.063-0.29560.44560.00820.39597.859258.242532.2888
284.51810.73072.79373.0352-1.70015.61850.1017-0.00210.12360.57730.2433-1.0137-0.27710.39410.10320.590.0091-0.1310.2970.01530.372799.510657.522627.7958
295.79641.20654.07445.6351-0.26769.48290.06880.3381-0.02520.5223-0.076-1.0761-0.13160.9542-0.05190.3575-0.0339-0.1440.28750.02780.4037103.470552.544926.9284
302.4249-1.48980.28982.90140.6560.29020.27970.3229-0.0266-0.5547-0.46461.4025-0.4847-0.75540.05180.63470.3908-0.18980.6727-0.20260.78529.052372.07538.123
312.299-0.94422.37751.7358-2.37468.3179-0.4622-0.7127-0.95270.36980.07880.8499-0.4646-0.00140.3710.31770.09920.00540.3185-0.06990.444842.513457.905815.8366
324.4673-3.2261-2.51182.80411.85671.4153-0.3223-0.43640.5450.04020.11360.3267-0.5089-0.41270.06040.58860.2696-0.20040.5861-0.26030.61233.017975.589616.0248
333.4184-1.0098-0.06793.50721.45292.4888-0.17540.26680.0210.0352-0.10390.2921-0.0982-0.24990.21840.43960.1047-0.07330.3419-0.11480.393237.338263.244210.3012
347.5973-3.3667-1.3936.01292.90213.3807-0.01330.0026-0.0913-0.3304-0.14870.3368-0.1024-0.24430.14080.38780.1024-0.12390.342-0.09030.413740.386461.15856.1451
353.5027-1.76990.21644.73782.41262.8790.01230.2140.1212-0.356-0.57680.9404-0.2053-0.86190.54650.42470.1916-0.19860.5172-0.22720.604927.294366.64416.8574
366.6412-4.26072.63476.2507-2.063.0125-0.19371.0970.5564-0.7681-0.23280.193-0.55390.08890.28970.61050.1167-0.18130.453-0.08470.407741.649769.10511.7186
373.6993-0.60712.25632.02290.24181.59950.42780.8971-0.1347-1.84450.20050.2481-0.94360.4965-0.41361.2845-0.2106-0.14660.56530.09150.655185.890476.085415.8089
385.02-0.25713.34781.82891.01463.3624-0.2467-0.1170.30590.2132-0.0084-0.5991-0.37210.26840.24540.7314-0.1413-0.08350.4004-0.09140.365192.49577.495334.4679
394.66841.45450.64574.78030.23041.56870.0391-0.3389-0.36720.3525-0.0048-0.16750.160.1059-0.0660.5792-0.0308-0.08150.3205-0.03280.254387.287165.546230.8456
402.0401-0.0632-6.08666.71410.4283.84210.0695-0.7931-0.50190.902-0.2893-0.35160.2949-0.08930.18430.7228-0.178-0.19550.575-0.04230.339792.647571.789240.1468
417.16420.41132.94616.0768-7.19052.0190.2601-1.4249-0.07221.05130.55380.5747-0.4034-1.673-0.72771.3301-0.066-0.22810.9432-0.11920.439189.869178.353446.1786
424.03271.76352.16813.96861.16693.23670.0384-0.0172-0.0307-0.1633-0.04230.03270.06620.1709-0.01970.4918-0.0031-0.04840.2774-0.020.173182.251364.986622.4464
437.79046.02956.62235.69435.25615.6239-0.0555-0.60490.4728-0.0621-0.7650.6251-0.5614-0.4770.62080.5535-0.0851-0.06040.29770.01220.169785.265574.294727.6577
443.3541-0.11653.40417.05122.15877.0710.05020.19110.2669-0.70230.1249-0.3575-0.53550.4194-0.13430.4149-0.1247-0.01440.35570.01840.254787.298673.698423.2646
459.15494.11514.36472.63363.99687.27270.16790.24480.12910.0608-0.1109-0.6593-0.15140.6685-0.05020.4418-0.0392-0.01510.3454-0.01330.273393.611571.468723.5188
462.4721.57692.4161.98671.7962.8825-1.69991.3551.922-1.6214-0.4176-0.5126-1.43880.54881.53840.8418-0.0169-0.28830.77340.02630.8401104.703141.371322.5493
473.54590.4708-0.37362.917-1.93061.3581-0.39190.10120.22850.36490.1790.277-0.49880.51920.2550.8667-0.0154-0.51380.71140.11590.9542113.672829.666138.6241
485.8177-3.94946.94482.7526-4.74228.3402-1.3122-0.57340.5281.75690.5538-0.6253-0.77010.03180.64040.7350.0514-0.20250.46750.03660.364197.398933.199639.6835
493.33692.24634.36899.62376.35517.1117-0.4803-0.3334-0.09280.60710.33680.379-0.9273-0.31860.35470.44720.0142-0.03510.33350.03850.230786.765237.665432.0374
503.8155-5.43831.14847.884-1.6810.6382-0.34240.0831-0.02560.73290.0982-0.28230.06380.08340.20120.5633-0.0292-0.13540.40010.05990.343698.627.180433.7325
514.8017-3.8277-4.93297.40317.62228.0961-0.57490.2421-0.95461.7408-0.21190.0810.59390.11850.41570.7752-0.0148-0.16890.45250.230.5422102.098325.34942.332
527.13942.2454-5.36595.8377-2.80224.2872-0.0434-1.3715-0.55151.6770.37180.25630.7230.8041-0.48061.1701-0.0065-0.29180.85780.30380.5858104.830627.764849.8757
535.42310.20493.91892.0817-0.80517.5832-0.1237-0.1381-0.14120.57710.0051-0.4695-0.20450.2380.16810.5571-0.0055-0.15290.3380.04860.318896.046836.534931.6254
543.84732.95754.4873.48243.4465.2225-0.00140.96820.4041-1.37940.04860.4201-0.26770.5287-0.04390.5872-0.0116-0.19860.3663-0.00270.36985.834838.14914.3834
552.9172-2.17972.65581.705-2.14183.3457-0.2621-0.32710.24370.67430.0181-0.6328-0.52560.24610.3260.6125-0.0341-0.26160.4470.08950.425101.300637.627933.2663
563.6479-0.77281.8611.2835-2.23463.96540.11180.08670.06570.5913-0.2195-0.69980.42360.54120.00250.6369-0.0506-0.19630.30430.06080.4724102.57437.021728.6448
578.4317-2.42825.50587.2465-2.15963.7537-0.08820.0587-0.12940.0031-0.1649-1.10010.41190.48770.22980.45220.0266-0.08230.42540.08830.3968103.612331.01426.6504
588.09747.27861.18048.05110.33480.55371.32920.7971-2.1858-1.0861-0.6185-1.17251.02680.86960.07110.99810.05310.09470.4231-0.01950.927566.89370.00698.4916
590.27540.45120.31691.16590.96461.17320.0024-0.7428-1.3979-0.10560.3728-0.00590.5963-0.51510.12950.8137-0.32-0.10110.50910.28821.131952.4777-6.193918.3557
602.2493-0.6692.06173.2586-4.12925.89830.1753-0.7352-0.192-0.0597-0.38030.25780.2222-0.08420.3070.3395-0.01390.03660.3610.0110.263958.547415.32321.3299
613.75971.9005-0.40822.19550.72613.07750.2324-0.6311-0.691-0.3130.07170.91720.476-0.9218-0.12060.4441-0.1754-0.07410.44960.20840.625249.54223.770115.174
622.81310.51440.776.52841.70116.63560.6734-0.3471-1.20520.3164-0.21971.53451.2454-1.4582-0.05320.5789-0.27760.06220.67990.26130.947445.6953-3.095920.4289
630.74520.4608-0.17091.05050.96231.65950.693-0.45960.05010.7531-0.1730.3078-0.0032-0.43210.10490.6351-0.7160.37390.75291.09021.726746.2173-7.553928.3803
645.39321.86890.0332.3674-0.37021.98840.06-0.1897-0.2017-0.3129-0.2429-0.04110.42270.00280.02140.4107-0.0504-0.01350.28410.05190.218660.487411.987513.8419
655.18111.4837-1.25065.99420.96390.65060.2212-0.3655-0.841-0.5997-0.18010.40880.7359-0.03860.01040.4135-0.0756-0.07910.28930.09720.468860.3792.017814.2765
664.03753.3243-1.01038.69160.11851.8278-0.04530.2226-0.5741-0.80260.37110.58080.7291-0.3836-0.09220.5175-0.0774-0.13540.27850.05050.548655.78531.03048.5001
673.4-0.2027-0.70899.05550.62422.30920.1069-0.385-0.96870.14450.0429-0.3780.59140.2068-0.13680.5790.0351-0.14510.33630.12990.573578.5819-2.711124.6902
683.6261-0.4091.38554.6682.09914.54550.0122-0.4463-0.4467-0.06840.0020.27850.3798-0.46650.0090.4231-0.0556-0.00290.34660.13890.302369.83826.6423.6161
693.95971.65513.5195.0519-1.06867.20990.6288-0.9541-1.23130.1833-0.2034-0.11710.7291-0.2009-0.59620.5199-0.08430.02970.57960.23440.653870.4996-4.110831.1891
705.26253.02-3.87533.4427-0.10928.82220.4007-0.3675-0.12211.70380.05680.63560.4359-0.9678-0.36391.1207-0.14480.41110.79380.9641.084370.793-7.734237.5083
714.7629-0.25611.42865.5119-2.42433.6802-0.05330.01330.05410.0535-0.298-0.04420.18450.09130.3440.33140.01850.03720.24050.01170.167175.061313.659919.2139
724.7425-0.46760.53117.7394-3.46192.95010.068-0.0644-0.650.1948-0.1566-0.16660.19740.26620.07310.3699-0.0023-0.00440.24520.04090.279378.563.271919.8164
737.84610.4679-1.62820.52450.02220.5447-0.17530.5353-0.9882-0.0192-0.31681.04720.4083-0.45850.36440.3955-0.12560.02150.6558-0.10991.083321.396225.49684.1949
744.05015.5544-3.21348.6172-1.60879.7048-0.1188-1.1042-0.88370.94060.2653-0.0027-0.5626-0.5029-0.16680.34130.0006-0.02930.47110.03120.452538.811931.858314.2964
751.99731.7113-0.27883.29920.17553.805-0.2009-0.20350.61810.01980.05771.3974-0.2973-0.6751-0.0310.28470.01840.05440.5929-0.10321.027821.579634.59267.9746
764.8768-2.24082.38058.35013.50384.6574-0.2286-0.63790.37951.260.17340.42640.2906-0.5453-0.0130.5725-0.10810.38051.133-0.17261.452512.832327.312716.7018
774.2564-0.60550.37353.2752-0.30212.5402-0.0194-0.1008-0.6656-0.0713-0.09470.2815-0.0225-0.42610.13990.2635-0.01930.00120.3457-0.03990.426134.957828.76636.0209
787.0682.2299-0.67165.305-0.713.4113-0.26840.221-0.0634-0.56390.23590.79720.027-0.3160.05750.29830.0056-0.06280.3311-0.11820.496429.626528.23870.4495
792.2257-1.01212.19912.3114-0.80062.26-0.05492.02451.0121-0.79290.3048-1.5007-0.67090.78641.04490.79190.1236-0.11460.82550.21590.6249101.117620.567621.2499
808.0402-1.43850.372.1515-2.39153.90170.59770.2653-0.62820.8144-0.4832-0.60550.46140.2603-0.1030.57470.1054-0.14880.42310.08710.5181101.3924.147533.481
815.5643-2.73251.07974.80370.75761.1101-0.3187-0.38610.05860.95540.09720.0289-0.2221-0.02090.25860.48650.0584-0.00890.31390.03030.245185.305719.873133.076
827.3705-5.56411.74816.6901-1.37020.69750.0509-0.233-0.45150.486-0.06830.08960.22560.2068-0.05690.52950.0193-0.06150.3670.10450.353387.072510.198429.0639
838.6164-3.097-1.89177.66033.14451.3825-0.5192-0.5047-0.51961.56020.28960.59561.2199-0.2950.09930.62850.13230.0140.41910.12070.351889.0055.749537.2018
847.87540.59060.44891.8378-2.20318.05010.6838-0.86791.04541.0047-0.096-0.004-0.6638-0.0207-0.58410.9023-0.0469-0.05480.6150.230.568492.74266.462245.8295
856.1861-3.30954.0217.4017-4.56225.5258-0.2351-0.1063-0.20020.580.1182-0.2777-0.17150.08820.08260.37630.0259-0.00670.27060.04010.171589.368819.841728.7889
868.7885-4.21386.6024.3985-4.54328.0799-0.1552-0.07490.4255-0.2159-0.1686-0.38770.5379-0.0360.33970.4214-0.0062-0.05890.25250.02110.234789.708522.130723.8237
875.7615-1.25783.45626.1633-4.73477.08750.1004-0.0845-0.06730.4527-0.4521-0.80690.13150.42410.58450.47820.0205-0.07610.32030.050.338599.473616.264832.381
885.2602-1.07913.45245.2098-2.76275.6952-0.11270.7534-0.0046-0.3856-0.1467-0.23860.47980.58060.03670.41360.02870.05020.36110.04710.223391.982114.26319.2492
893.65022.03480.99713.18161.61030.77650.527-0.3293-1.99-0.3275-0.13160.77691.0121-0.02640.07950.6275-0.5243-0.0450.27480.27211.13836.54855.53748.256
907.1344-0.20420.13928.9737-4.24579.1873-0.445-1.6540.58650.55480.0274-0.7779-0.672-0.34860.36690.4159-0.0697-0.03140.5118-0.02810.402846.621320.81616.9965
917.93537.03182.74458.94824.22547.390.0656-0.8469-0.22850.2349-0.24171.6725-0.0753-1.03380.20820.3053-0.1270.070.44520.04460.776433.522516.03019.4082
921.11511.6718-0.67675.2182-0.66361.04180.0719-0.5562-0.88090.1402-0.73461.58470.5368-0.79550.34250.4989-0.13070.230.80960.15481.204425.39059.421813.9494
938.54762.133-0.37254.2590.28623.21670.0636-0.5101-0.4151-0.2414-0.03250.09820.367-0.1968-0.04190.3312-0.07710.02820.30270.03870.309347.116218.23598.8399
945.61223.2172-1.7095.68391.15092.6149-0.1032-0.6689-0.61330.2048-0.00851.07750.9634-0.68420.03350.5148-0.1882-0.01660.56440.2060.777840.61435.719910.2507
953.48082.35572.45683.8327-0.4945.41180.170.4581-0.2048-1.7264-0.21250.20430.0765-0.20360.10550.48490.02440.02320.2806-0.03710.500444.204819.52830.1944
966.80145.16255.90776.91244.75628.0539-1.05110.9980.3798-1.2088-0.25540.14570.1375-0.16450.87550.5133-0.448-0.20220.33420.02911.403831.72843.87781.1565
973.01451.54491.31962.1108-0.27691.2549-0.3130.19290.6835-0.93750.22720.255-0.16-0.14550.24780.40780.1468-0.25990.9073-0.41461.215119.865948.0375-1.937
984.9872-4.9471.92065.1887-2.13110.9513-0.7906-1.6862-0.10910.93450.39570.8568-0.5141-1.13960.27450.37650.2170.08930.7039-0.15540.636824.267149.899712.9159
992.04221.61782.92868.49430.62995.99420.0688-0.64510.09741.0173-0.20981.0185-0.2953-0.58910.26670.3538-0.0062-0.02760.4539-0.09060.47337.298245.354113.8685
1003.7432-1.4568-1.54532.6431-0.06560.9449-0.0470.0033-0.3583-0.02610.06540.9253-0.4193-0.3671-0.02090.36990.1376-0.08960.5445-0.24220.756524.277357.26177.6438
1010.9937-1.68481.01353.2061-0.87574.09920.5329-1.07960.7868-0.5876-0.17811.3403-0.9161-1.7241-0.16980.86720.2715-0.01751.198-0.30591.114317.571953.035219.7964
1023.49-0.4266-0.11362.5924-0.22252.5055-0.1033-0.69640.34610.32680.0350.6419-0.1683-0.45360.1030.37110.11630.05470.5076-0.2140.646725.57748.99549.7433
1037.68390.7446-0.26682.2190.48711.4368-0.0989-0.0218-0.9439-0.0858-0.12740.1877-0.0369-0.19340.15640.31570.0573-0.02840.3551-0.10590.413834.425645.56383.7591
1044.30670.18731.77823.02830.03210.73660.38230.1955-0.13920.1165-0.33661.1867-0.2261-0.66880.05620.3672-0.013-0.10410.5674-0.15780.855420.178844.35333.7787
1057.1754-0.83761.28263.9117-0.26351.2678-0.3620.53780.5187-0.9374-0.08090.6045-0.4574-0.38050.08250.4020.0667-0.14970.4302-0.14060.41232.261752.1392-2.1724
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 4 through 9 )
2X-RAY DIFFRACTION2chain 'A' and (resid 10 through 28 )
3X-RAY DIFFRACTION3chain 'A' and (resid 29 through 34 )
4X-RAY DIFFRACTION4chain 'A' and (resid 35 through 49 )
5X-RAY DIFFRACTION5chain 'A' and (resid 50 through 81 )
6X-RAY DIFFRACTION6chain 'A' and (resid 82 through 108 )
7X-RAY DIFFRACTION7chain 'A' and (resid 109 through 119 )
8X-RAY DIFFRACTION8chain 'A' and (resid 120 through 134 )
9X-RAY DIFFRACTION9chain 'A' and (resid 135 through 159 )
10X-RAY DIFFRACTION10chain 'B' and (resid 4 through 9 )
11X-RAY DIFFRACTION11chain 'B' and (resid 10 through 28 )
12X-RAY DIFFRACTION12chain 'B' and (resid 29 through 34 )
13X-RAY DIFFRACTION13chain 'B' and (resid 35 through 49 )
14X-RAY DIFFRACTION14chain 'B' and (resid 50 through 77 )
15X-RAY DIFFRACTION15chain 'B' and (resid 78 through 89 )
16X-RAY DIFFRACTION16chain 'B' and (resid 90 through 101 )
17X-RAY DIFFRACTION17chain 'B' and (resid 102 through 119 )
18X-RAY DIFFRACTION18chain 'B' and (resid 120 through 134 )
19X-RAY DIFFRACTION19chain 'B' and (resid 135 through 159 )
20X-RAY DIFFRACTION20chain 'C' and (resid 5 through 28 )
21X-RAY DIFFRACTION21chain 'C' and (resid 29 through 34 )
22X-RAY DIFFRACTION22chain 'C' and (resid 35 through 49 )
23X-RAY DIFFRACTION23chain 'C' and (resid 50 through 81 )
24X-RAY DIFFRACTION24chain 'C' and (resid 82 through 89 )
25X-RAY DIFFRACTION25chain 'C' and (resid 90 through 101 )
26X-RAY DIFFRACTION26chain 'C' and (resid 102 through 108 )
27X-RAY DIFFRACTION27chain 'C' and (resid 109 through 119 )
28X-RAY DIFFRACTION28chain 'C' and (resid 120 through 140 )
29X-RAY DIFFRACTION29chain 'C' and (resid 141 through 158 )
30X-RAY DIFFRACTION30chain 'D' and (resid 5 through 28 )
31X-RAY DIFFRACTION31chain 'D' and (resid 29 through 34 )
32X-RAY DIFFRACTION32chain 'D' and (resid 35 through 89 )
33X-RAY DIFFRACTION33chain 'D' and (resid 90 through 101 )
34X-RAY DIFFRACTION34chain 'D' and (resid 102 through 119 )
35X-RAY DIFFRACTION35chain 'D' and (resid 120 through 134 )
36X-RAY DIFFRACTION36chain 'D' and (resid 135 through 159 )
37X-RAY DIFFRACTION37chain 'E' and (resid 4 through 9 )
38X-RAY DIFFRACTION38chain 'E' and (resid 10 through 28 )
39X-RAY DIFFRACTION39chain 'E' and (resid 29 through 49 )
40X-RAY DIFFRACTION40chain 'E' and (resid 50 through 79 )
41X-RAY DIFFRACTION41chain 'E' and (resid 80 through 89 )
42X-RAY DIFFRACTION42chain 'E' and (resid 90 through 108 )
43X-RAY DIFFRACTION43chain 'E' and (resid 109 through 119 )
44X-RAY DIFFRACTION44chain 'E' and (resid 120 through 140 )
45X-RAY DIFFRACTION45chain 'E' and (resid 141 through 159 )
46X-RAY DIFFRACTION46chain 'F' and (resid 4 through 9 )
47X-RAY DIFFRACTION47chain 'F' and (resid 10 through 20 )
48X-RAY DIFFRACTION48chain 'F' and (resid 21 through 28 )
49X-RAY DIFFRACTION49chain 'F' and (resid 29 through 34 )
50X-RAY DIFFRACTION50chain 'F' and (resid 35 through 49 )
51X-RAY DIFFRACTION51chain 'F' and (resid 50 through 81 )
52X-RAY DIFFRACTION52chain 'F' and (resid 82 through 89 )
53X-RAY DIFFRACTION53chain 'F' and (resid 90 through 101 )
54X-RAY DIFFRACTION54chain 'F' and (resid 102 through 108 )
55X-RAY DIFFRACTION55chain 'F' and (resid 109 through 119 )
56X-RAY DIFFRACTION56chain 'F' and (resid 120 through 140 )
57X-RAY DIFFRACTION57chain 'F' and (resid 141 through 158 )
58X-RAY DIFFRACTION58chain 'G' and (resid 4 through 9 )
59X-RAY DIFFRACTION59chain 'G' and (resid 10 through 28 )
60X-RAY DIFFRACTION60chain 'G' and (resid 29 through 34 )
61X-RAY DIFFRACTION61chain 'G' and (resid 35 through 49 )
62X-RAY DIFFRACTION62chain 'G' and (resid 50 through 80 )
63X-RAY DIFFRACTION63chain 'G' and (resid 81 through 89 )
64X-RAY DIFFRACTION64chain 'G' and (resid 90 through 108 )
65X-RAY DIFFRACTION65chain 'G' and (resid 109 through 140 )
66X-RAY DIFFRACTION66chain 'G' and (resid 141 through 159 )
67X-RAY DIFFRACTION67chain 'H' and (resid 5 through 28 )
68X-RAY DIFFRACTION68chain 'H' and (resid 29 through 49 )
69X-RAY DIFFRACTION69chain 'H' and (resid 50 through 80 )
70X-RAY DIFFRACTION70chain 'H' and (resid 81 through 89 )
71X-RAY DIFFRACTION71chain 'H' and (resid 90 through 108 )
72X-RAY DIFFRACTION72chain 'H' and (resid 109 through 159 )
73X-RAY DIFFRACTION73chain 'I' and (resid 5 through 28 )
74X-RAY DIFFRACTION74chain 'I' and (resid 29 through 34 )
75X-RAY DIFFRACTION75chain 'I' and (resid 35 through 79 )
76X-RAY DIFFRACTION76chain 'I' and (resid 80 through 89 )
77X-RAY DIFFRACTION77chain 'I' and (resid 90 through 119 )
78X-RAY DIFFRACTION78chain 'I' and (resid 120 through 158 )
79X-RAY DIFFRACTION79chain 'J' and (resid 4 through 9 )
80X-RAY DIFFRACTION80chain 'J' and (resid 10 through 20 )
81X-RAY DIFFRACTION81chain 'J' and (resid 21 through 34 )
82X-RAY DIFFRACTION82chain 'J' and (resid 35 through 49 )
83X-RAY DIFFRACTION83chain 'J' and (resid 50 through 79 )
84X-RAY DIFFRACTION84chain 'J' and (resid 80 through 89 )
85X-RAY DIFFRACTION85chain 'J' and (resid 90 through 101 )
86X-RAY DIFFRACTION86chain 'J' and (resid 102 through 119 )
87X-RAY DIFFRACTION87chain 'J' and (resid 120 through 134 )
88X-RAY DIFFRACTION88chain 'J' and (resid 135 through 159 )
89X-RAY DIFFRACTION89chain 'K' and (resid 4 through 28 )
90X-RAY DIFFRACTION90chain 'K' and (resid 29 through 34 )
91X-RAY DIFFRACTION91chain 'K' and (resid 35 through 49 )
92X-RAY DIFFRACTION92chain 'K' and (resid 50 through 89 )
93X-RAY DIFFRACTION93chain 'K' and (resid 90 through 108 )
94X-RAY DIFFRACTION94chain 'K' and (resid 109 through 134 )
95X-RAY DIFFRACTION95chain 'K' and (resid 135 through 152 )
96X-RAY DIFFRACTION96chain 'K' and (resid 153 through 160 )
97X-RAY DIFFRACTION97chain 'L' and (resid 4 through 20 )
98X-RAY DIFFRACTION98chain 'L' and (resid 21 through 28 )
99X-RAY DIFFRACTION99chain 'L' and (resid 29 through 34 )
100X-RAY DIFFRACTION100chain 'L' and (resid 35 through 57 )
101X-RAY DIFFRACTION101chain 'L' and (resid 58 through 83 )
102X-RAY DIFFRACTION102chain 'L' and (resid 84 through 101 )
103X-RAY DIFFRACTION103chain 'L' and (resid 102 through 119 )
104X-RAY DIFFRACTION104chain 'L' and (resid 120 through 134 )
105X-RAY DIFFRACTION105chain 'L' and (resid 135 through 159 )

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