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- PDB-4amw: CRYSTAL STRUCTURE OF THE GRACILARIOPSIS LEMANEIFORMIS ALPHA-1,4- ... -

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Basic information

Entry
Database: PDB / ID: 4amw
TitleCRYSTAL STRUCTURE OF THE GRACILARIOPSIS LEMANEIFORMIS ALPHA-1,4- GLUCAN LYASE Covalent Intermediate Complex with 5-fluoro-idosyl- fluoride
ComponentsALPHA-1,4-GLUCAN LYASE ISOZYME 1
KeywordsLYASE / ANHYDROFRUCTOSE PATHWAY / GLYCOSIDE HYDROLASE FAMILY 31 / SECONDARY CARBOHYDRATE BINDING SITE
Function / homology
Function and homology information


exo-(1,4)-alpha-D-glucan lyase activity / hydrolase activity, hydrolyzing O-glycosyl compounds / carbohydrate binding / carbohydrate metabolic process
Similarity search - Function
glycosyl hydrolase (family 31) / : / Glycosyl hydrolase family 31 C-terminal domain / Glycoside hydrolase family 31 / Glycosyl hydrolases family 31 TIM-barrel domain / Galactose mutarotase-like domain superfamily / Golgi alpha-mannosidase II / Glycosyl hydrolase, all-beta / Glycoside hydrolase superfamily / Immunoglobulin-like ...glycosyl hydrolase (family 31) / : / Glycosyl hydrolase family 31 C-terminal domain / Glycoside hydrolase family 31 / Glycosyl hydrolases family 31 TIM-barrel domain / Galactose mutarotase-like domain superfamily / Golgi alpha-mannosidase II / Glycosyl hydrolase, all-beta / Glycoside hydrolase superfamily / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
Chem-5DI / 5-fluoro-alpha-L-idopyranose / Glucosidase II subunit alpha
Similarity search - Component
Biological speciesGRACILARIOPSIS LEMANEIFORMIS (eukaryote)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.9 Å
AuthorsRozeboom, H.J. / Yu, S. / Madrid, S. / Kalk, K.H. / Dijkstra, B.W.
CitationJournal: J.Biol.Chem. / Year: 2013
Title: Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism.
Authors: Rozeboom, H.J. / Yu, S. / Madrid, S. / Kalk, K.H. / Zhang, R. / Dijkstra, B.W.
History
DepositionMar 14, 2012Deposition site: PDBE / Processing site: PDBE
Revision 1.0Mar 27, 2013Provider: repository / Type: Initial release
Revision 1.1Aug 14, 2013Group: Database references / Refinement description
Revision 1.2Sep 25, 2013Group: Database references
Revision 1.3Jan 30, 2019Group: Data collection / Experimental preparation / Other
Category: exptl_crystal_grow / pdbx_database_proc / pdbx_database_status
Item: _exptl_crystal_grow.method / _pdbx_database_status.recvd_author_approval
Revision 1.4Feb 6, 2019Group: Data collection / Experimental preparation / Category: exptl_crystal_grow / Item: _exptl_crystal_grow.temp
Revision 2.0Jul 29, 2020Group: Atomic model / Derived calculations ...Atomic model / Derived calculations / Other / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_database_status / pdbx_entity_nonpoly / struct_conn / struct_site / struct_site_gen
Item: _atom_site.auth_atom_id / _atom_site.label_atom_id ..._atom_site.auth_atom_id / _atom_site.label_atom_id / _chem_comp.name / _chem_comp.type / _entity.pdbx_description / _pdbx_database_status.status_code_sf / _pdbx_entity_nonpoly.name / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Dec 20, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn / struct_ncs_dom_lim
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: ALPHA-1,4-GLUCAN LYASE ISOZYME 1
B: ALPHA-1,4-GLUCAN LYASE ISOZYME 1
C: ALPHA-1,4-GLUCAN LYASE ISOZYME 1
D: ALPHA-1,4-GLUCAN LYASE ISOZYME 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)465,66815
Polymers464,2494
Non-polymers1,41911
Water52,6762924
1
A: ALPHA-1,4-GLUCAN LYASE ISOZYME 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)116,6296
Polymers116,0621
Non-polymers5675
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
2
B: ALPHA-1,4-GLUCAN LYASE ISOZYME 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)116,3523
Polymers116,0621
Non-polymers2902
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
3
C: ALPHA-1,4-GLUCAN LYASE ISOZYME 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)116,2602
Polymers116,0621
Non-polymers1981
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
4
D: ALPHA-1,4-GLUCAN LYASE ISOZYME 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)116,4264
Polymers116,0621
Non-polymers3643
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)92.100, 97.300, 136.280
Angle α, β, γ (deg.)80.31, 83.29, 85.21
Int Tables number1
Space group name H-MP1
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
31C
41D

NCS domain segments:

Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: THR / Beg label comp-ID: THR / End auth comp-ID: THR / End label comp-ID: THR / Refine code: 6 / Auth seq-ID: 14 - 1038 / Label seq-ID: 3 - 1027

Dom-IDAuth asym-IDLabel asym-ID
1AA
2BB
3CC
4DD

NCS oper:
IDCodeMatrixVector
1given(0.2777, 0.6685, -0.6899), (-0.656, 0.6566, 0.3722), (0.7018, 0.3492, 0.6209)52.41, -36.78, -43.39
2given(0.2767, -0.6599, 0.6986), (-0.6553, -0.6613, -0.3651), (0.7029, -0.3567, -0.6154)29.22, -1.977, -56.04
3given(1, 0.001798, 0.005117), (0.001811, -1, -0.002497), (0.005112, 0.002507, -1)-54.28, 2.609, 20.81

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Components

#1: Protein
ALPHA-1,4-GLUCAN LYASE ISOZYME 1


Mass: 116062.156 Da / Num. of mol.: 4 / Fragment: RESIDUES 62-1088
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) GRACILARIOPSIS LEMANEIFORMIS (eukaryote)
Production host: PICHIA ANGUSTA (fungus) / Strain (production host): RB11 / References: UniProt: Q9STC1, EC: 4.2.2.13
#2: Sugar ChemComp-B9D / 5-fluoro-alpha-L-idopyranose / (2R,3R,4R,5S,6R)-6-fluoranyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol / 5-fluoro-alpha-L-idose / 5-fluoro-L-idose / 5-fluoro-idose


Type: L-saccharide, alpha linking / Mass: 198.146 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Formula: C6H11FO6
#3: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C3H8O3
#4: Sugar ChemComp-5DI / alpha-D-threo-hexo-2,5-diulo-2,6-pyranosyl fluoride / 2-OXO-1,2,DIDEOXY-5F-D-IDOPYRANOSE / alpha-D-threo-hexo-2,5-diulo-2,6-syl fluoride / D-threo-hexo-2,5-diulo-2,6-syl fluoride / threo-hexo-2,5-diulo-2,6-syl fluoride


Type: D-saccharide / Mass: 180.131 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Formula: C6H9FO5
#5: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 2924 / Source method: isolated from a natural source / Formula: H2O
Nonpolymer details2-OXO-1,2,DIDEOXY-5F-D-IDOPYRANOSE (5DI): NHF WITH EPIMER OF C5 HYDROXYMETHYL GROUP + F ATOM AT C5
Sequence detailsFIRST 50 AMINO ACIDS ARE A SIGNAL PEPTIDE. THE NEXT 11 AMINO ACIDS ARE NOT PRESENT IN THE ENZYME

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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: 2.51 Å3/Da / Density % sol: 51 % / Description: NONE
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 5
Details: 18-21% PEG 8000, 0.1 M SODIUM ACETATE, PH 5.0-5.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID14-4 / Wavelength: 0.9395
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Jul 22, 2010
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9395 Å / Relative weight: 1
ReflectionResolution: 1.9→45.6 Å / Num. obs: 340755 / % possible obs: 93.5 % / Observed criterion σ(I): -3 / Redundancy: 1.9 % / Biso Wilson estimate: 16.2 Å2 / Rmerge(I) obs: 0.11 / Net I/σ(I): 5.3
Reflection shellResolution: 1.9→2 Å / Redundancy: 1.9 % / Rmerge(I) obs: 0.5 / Mean I/σ(I) obs: 1.6 / % possible all: 94.1

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Processing

Software
NameVersionClassification
REFMAC5.5.0109refinement
iMOSFLMdata reduction
SCALAdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2X2H

2x2h


Resolution: 1.9→43.57 Å / Cor.coef. Fo:Fc: 0.937 / Cor.coef. Fo:Fc free: 0.904 / SU B: 10.656 / SU ML: 0.133 / Cross valid method: THROUGHOUT / ESU R: 0.181 / ESU R Free: 0.167 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES WITH TLS ADDED.
RfactorNum. reflection% reflectionSelection details
Rfree0.25432 17168 5 %RANDOM
Rwork0.20665 ---
obs0.20907 323582 93.54 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK
Displacement parametersBiso mean: 24.752 Å2
Baniso -1Baniso -2Baniso -3
1-0.39 Å20.03 Å20.11 Å2
2--0.09 Å2-0.6 Å2
3----0.31 Å2
Refinement stepCycle: LAST / Resolution: 1.9→43.57 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms32648 0 90 2924 35662
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0140.02233617
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.4761.92945724
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg9.0865.0194106
X-RAY DIFFRACTIONr_dihedral_angle_2_deg36.66924.6311803
X-RAY DIFFRACTIONr_dihedral_angle_3_deg14.722155140
X-RAY DIFFRACTIONr_dihedral_angle_4_deg17.52115188
X-RAY DIFFRACTIONr_chiral_restr0.1050.24695
X-RAY DIFFRACTIONr_gen_planes_refined0.0070.02126824
X-RAY DIFFRACTIONr_gen_planes_other
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it0.5641.520319
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it1.009232772
X-RAY DIFFRACTIONr_mcangle_other
X-RAY DIFFRACTIONr_scbond_it1.866313298
X-RAY DIFFRACTIONr_scbond_other
X-RAY DIFFRACTIONr_scangle_it2.7744.512952
X-RAY DIFFRACTIONr_scangle_other
X-RAY DIFFRACTIONr_long_range_B_refined
X-RAY DIFFRACTIONr_long_range_B_other
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Ens-ID: 1 / Number: 8129 / Refine-ID: X-RAY DIFFRACTION

Dom-IDAuth asym-IDTypeRms dev position (Å)Weight position
1Aloose positional0.435
2Bloose positional0.335
3Cloose positional0.365
4Dloose positional0.345
1Aloose thermal4.6410
2Bloose thermal4.3410
3Cloose thermal4.4310
4Dloose thermal4.2210
LS refinement shellResolution: 1.9→1.949 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.379 1284 -
Rwork0.342 24117 -
obs--94.04 %
Refinement TLS params.

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

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
10.27910.19740.05490.6109-0.19370.33350.00610.0096-0.1655-0.10260.0186-0.03790.063-0.0351-0.02470.14460.0018-0.01120.0722-0.05020.1451-3.7643-53.4692-2.0702
21.02130.3421-0.07750.8537-0.25120.22120.0488-0.0755-0.00240.0883-0.00570.0891-0.0044-0.0523-0.04320.14170.00410.00780.0921-0.05930.0799-9.0285-39.57384.2349
32.3031-0.2211-0.301713.74532.61273.12330.2937-0.5783-0.22770.9876-0.5954-0.32920.058-0.09840.30160.2059-0.0851-0.03770.21460.05380.10974.5542-40.10698.7149
40.5140.2733-0.14930.5757-0.29910.2229-0.02710.13950.0408-0.1205-0.0208-0.1230.03610.00690.0480.13730.02670.03560.131-0.01160.094113.1744-19.3542-22.0466
51.58581.01430.17181.8654-0.38030.7298-0.04130.31020.0775-0.28760.05970.0130.20450.019-0.01840.18130.01790.01050.1515-0.01820.0391.7997-35.6807-31.5948
61.1640.08960.26710.7619-0.11110.62490.01230.1825-0.0222-0.14780.03430.04320.1056-0.0291-0.04660.17590.0112-0.0010.1168-0.05860.0585-3.0143-37.1371-21.5647
70.35840.02860.18180.8814-0.29560.40710.02210.12880.1305-0.02330.01030.0834-0.0034-0.0146-0.03240.11690.01890.02270.13310.01350.1420.439-15.6683-11.797
80.6034-0.0160.07390.3839-0.11520.55260.0020.01410.14130.09350.0089-0.0543-0.05630.0121-0.01090.1430.003-0.00020.064-0.0620.106814.1142-15.09244.9262
91.063-0.04350.08781.10750.06041.13390.0120.04050.25820.1659-0.0953-0.3024-0.02540.14610.08330.0898-0.0282-0.04310.0781-0.01580.222735.3379-12.41188.8413
102.07080.17820.16341.1271-0.42830.55820.18520.1022-0.4719-0.2179-0.1261-0.21950.22370.1536-0.05920.14990.0761-0.04230.17050.0580.218524.4374-33.636758.3369
111.5868-0.34650.2690.9118-0.19860.57330.1171-0.269-0.2763-0.005-0.0647-0.11470.07720.1035-0.05240.1078-0.0111-0.05640.19920.12310.128418.0456-26.306270.6616
120.6825-0.34730.33760.6472-0.4090.48250.0486-0.0085-0.0492-0.1037-0.03270.0260.05760.0286-0.0160.1223-0.0106-0.03050.14730.02230.0477-4.6596-7.66448.3703
131.0824-0.48120.82655.6273-1.79921.93640.2810.0111-0.3383-0.50890.03020.18010.4784-0.0246-0.31120.20530.0073-0.11680.11340.01680.117-6.5213-28.767442.2631
141.23270.10520.02161.6433-0.88072.04570.1871-0.0882-0.4091-0.29290.01170.09960.40950.0168-0.19880.2021-0.0056-0.14020.08350.04990.1788-0.4947-33.496754.3849
151.1039-0.14370.41240.696-0.28110.65620.0018-0.15220.0050.0368-0.0301-0.015-0.03860.00380.02830.1146-0.0199-0.02760.1760.0250.03321.1839-4.876363.5987
161.4269-0.02770.27191.1630.19371.6731-0.2111-0.290.48850.1683-0.0629-0.1208-0.2987-0.05540.2740.1409-0.0223-0.13680.1884-0.05160.21696.469311.060169.8822
171.44180.28590.46421.09980.14171.4519-0.09690.15070.3516-0.0555-0.0643-0.1294-0.04550.21770.16120.1125-0.0415-0.04060.17780.11260.146811.86327.99549.7225
182.067-0.107-0.23121.53710.13641.5101-0.0750.11870.62550.036-0.1223-0.2192-0.28450.21680.19730.1208-0.1126-0.12490.12960.16230.331316.297522.57753.198
191.6770.3921-0.43581.0628-0.2910.50650.1363-0.01880.29970.2075-0.1712-0.1425-0.20310.19080.03490.1258-0.07610.00350.15960.13610.224161.260738.6744-38.9264
201.51210.3722-0.32111.4265-0.64480.9640.06360.10170.07870.0247-0.1879-0.3152-0.07580.31260.12430.015-0.03020.00390.26050.19170.260271.234130.5856-43.9751
211.17330.5592-0.32681.3639-0.38120.6799-0.05710.27870.087-0.14960.07720.0042-0.04150.0167-0.02010.07490.00180.02670.19780.1150.115148.531725.8668-51.71
220.62040.3684-0.32390.4445-0.26880.44230.04090.0360.02070.0804-0.059-0.0361-0.05210.0250.01810.09490.02540.03760.1220.06390.142134.825211.933-28.1208
234.3642.3618-1.65765.6387-3.29434.24960.2471-0.00350.37740.40180.17580.5812-0.3781-0.3401-0.42290.13280.05460.13760.04220.04990.161628.983436.6848-22.3179
241.36060.895-0.41142.3803-1.00641.48640.1719-0.05080.18210.2559-0.0354-0.0092-0.25780.0342-0.13650.11-0.00080.05650.12910.06970.160835.752724.2509-21.5252
252.83330.41950.48071.9395-1.13363.08950.09330.22830.470.23970.0890.2953-0.4533-0.1672-0.18230.11610.05190.11140.07970.12060.238834.34940.2251-36.8965
260.86780.3436-0.26340.7629-0.18720.5202-0.08720.1886-0.1063-0.08980.0107-0.11460.04440.0280.07650.08170.01730.05980.16230.04150.136840.95366.4979-42.4437
270.8923-0.041-0.01871.60130.2580.8788-0.02490.0623-0.35250.0728-0.0139-0.14650.1820.11540.03870.06280.05740.06080.10740.09590.303652.894-15.057-30.5146
281.2261-0.58970.05130.8932-0.36250.2187-0.0132-0.07190.28160.09010.0288-0.0315-0.0547-0.0411-0.01560.13560.00810.00250.0915-0.0840.133450.508756.112523.2356
291.4106-0.53050.03831.128-0.35540.17120.02730.0089-0.0587-0.12190.03960.19950.0067-0.0489-0.06690.12930.0038-0.03050.0978-0.05980.100545.086942.198917.0068
303.4388-3.4515-1.345111.82942.7594.25130.29370.1538-0.1746-0.6732-0.5469-0.1311-0.165-0.00720.25330.1110.0199-0.00730.1066-0.05150.097158.450743.221413.1549
310.3623-0.23650.14550.6979-0.280.2419-0.0253-0.1885-0.0550.11210.045-0.0104-0.0155-0.0491-0.01980.1248-0.004-0.01650.1644-0.00940.05166.604922.39343.8776
323.0752-2.40290.41722.6911-0.21760.9684-0.1586-0.5996-0.02040.34660.28790.0238-0.2129-0.1926-0.12930.1780.01380.03260.2201-0.01180.030756.060939.141453.0718
332.48750.2072-0.19961.1946-0.46281.3928-0.0216-0.4475-0.15790.18620.13550.2154-0.126-0.0817-0.11390.14950.05080.03830.20950.00450.090744.953440.412742.9097
340.3357-0.22890.02250.8736-0.17660.33040.0165-0.1904-0.12350.03370.02010.063-0.0612-0.033-0.03660.1092-0.0048-0.01330.17860.02140.116657.806122.412334.0711
350.7717-0.0858-0.04080.5817-0.15620.45290.019-0.0338-0.1558-0.08780.04470.10710.0315-0.0353-0.06380.13910.0022-0.0330.0835-0.0470.102867.357216.35317.0862
360.8645-0.2349-0.53081.05880.14080.63540.0318-0.0454-0.0814-0.1375-0.0584-0.2557-0.00770.03760.02660.14460.02150.00040.079-0.03610.138889.276716.568913.37
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A14 - 124
2X-RAY DIFFRACTION2A125 - 323
3X-RAY DIFFRACTION3A324 - 336
4X-RAY DIFFRACTION4A337 - 463
5X-RAY DIFFRACTION5A464 - 555
6X-RAY DIFFRACTION6A556 - 644
7X-RAY DIFFRACTION7A645 - 752
8X-RAY DIFFRACTION8A753 - 939
9X-RAY DIFFRACTION9A940 - 1038
10X-RAY DIFFRACTION10B14 - 123
11X-RAY DIFFRACTION11B124 - 323
12X-RAY DIFFRACTION12B324 - 460
13X-RAY DIFFRACTION13B461 - 551
14X-RAY DIFFRACTION14B552 - 629
15X-RAY DIFFRACTION15B630 - 841
16X-RAY DIFFRACTION16B842 - 891
17X-RAY DIFFRACTION17B892 - 939
18X-RAY DIFFRACTION18B940 - 1038
19X-RAY DIFFRACTION19C14 - 110
20X-RAY DIFFRACTION20C111 - 191
21X-RAY DIFFRACTION21C192 - 314
22X-RAY DIFFRACTION22C315 - 461
23X-RAY DIFFRACTION23C462 - 517
24X-RAY DIFFRACTION24C518 - 558
25X-RAY DIFFRACTION25C559 - 606
26X-RAY DIFFRACTION26C607 - 888
27X-RAY DIFFRACTION27C889 - 1038
28X-RAY DIFFRACTION28D14 - 124
29X-RAY DIFFRACTION29D125 - 322
30X-RAY DIFFRACTION30D323 - 337
31X-RAY DIFFRACTION31D338 - 468
32X-RAY DIFFRACTION32D469 - 550
33X-RAY DIFFRACTION33D551 - 624
34X-RAY DIFFRACTION34D625 - 743
35X-RAY DIFFRACTION35D744 - 931
36X-RAY DIFFRACTION36D932 - 1038

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