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- PDB-1c8f: FELINE PANLEUKOPENIA VIRUS EMPTY CAPSID STRUCTURE -

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Basic information

Entry
Database: PDB / ID: 1c8f
TitleFELINE PANLEUKOPENIA VIRUS EMPTY CAPSID STRUCTURE
ComponentsFELINE PANLEUKOPENIA VIRUS CAPSID
KeywordsVIRUS / beta barrel / viral capsid / icosahedral symmetry / Icosahedral virus
Function / homology
Function and homology information


permeabilization of host organelle membrane involved in viral entry into host cell / symbiont entry into host cell via permeabilization of inner membrane / microtubule-dependent intracellular transport of viral material towards nucleus / T=1 icosahedral viral capsid / viral penetration into host nucleus / host cell / clathrin-dependent endocytosis of virus by host cell / host cell nucleus / virion attachment to host cell / structural molecule activity / metal ion binding
Similarity search - Function
Empty Capsid Viral Protein 2 / Parvovirus coat protein VP1/VP2 / Phospholipase A2-like domain / Phospholipase A2-like domain / Parvovirus coat protein VP2 / Parvovirus coat protein VP1/VP2 / Parvovirus coat protein VP2 / Capsid/spike protein, ssDNA virus / Beta Complex / Mainly Beta
Similarity search - Domain/homology
Biological speciesFeline panleukopenia virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 3 Å
AuthorsRossmann, M.G. / Simpson, A.A.
Citation
Journal: J.Mol.Biol. / Year: 2000
Title: Host range and variability of calcium binding by surface loops in the capsids of canine and feline parvoviruses.
Authors: Simpson, A.A. / Chandrasekar, V. / Hebert, B. / Sullivan, G.M. / Rossmann, M.G. / Parrish, C.R.
#1: Journal: Protein Sci. / Year: 1993
Title: Structure Determination of Feline Panleukopenia Virus Empty Particles
Authors: Agbandje, M. / McKenna, R. / Rossmann, M.G. / Strassheim, M.L. / Parrish, C.R.
#2: Journal: Acta Crystallogr.,Sect.D / Year: 1996
Title: Structural Refinement of the DNA-Containing Capsid of Canine Parvovirus using RSRef, a Resolution-Dependent Stereochemically Restrained Real-Space Refinement Method
Authors: Chapman, M.S. / Rossmann, M.G.
#3: Journal: Virology / Year: 1996
Title: Structural Analysis of a Mutation in Canine Parvovirus which Controls Antigenicity and Host Range
Authors: Llamas-Saiz, A.L. / Agbandje-McKenna, M. / Parker, J.S. / Wahid, A.T. / Parrish, C.R. / Rossmann, M.G.
#4: Journal: Science / Year: 1991
Title: The Three-Dimensional Structure of Canine Parvovirus and its Functional Implications
Authors: Tsao, J. / Chapman, M.S. / Agbandje, M. / Keller, W. / Smith, K. / Wu, H. / Luo, M. / Smith, T.J. / Rossmann, M.G. / Compans, R.W. / Parrish, C.R.
History
DepositionMay 5, 2000Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 9, 2000Provider: repository / Type: Initial release
Revision 1.1Apr 26, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Oct 4, 2017Group: Refinement description / Category: software
Revision 2.0Apr 19, 2023Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Database references / Derived calculations / Other / Refinement description
Category: atom_site / cell ...atom_site / cell / database_2 / database_PDB_matrix / pdbx_database_remark / pdbx_struct_conn_angle / pdbx_struct_oper_list / pdbx_validate_torsion / struct_conn / struct_ncs_oper / struct_ref_seq_dif / struct_site
Item: _atom_site.Cartn_x / _atom_site.Cartn_y ..._atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _cell.Z_PDB / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _database_PDB_matrix.origx[1][1] / _database_PDB_matrix.origx[1][2] / _database_PDB_matrix.origx[1][3] / _database_PDB_matrix.origx[2][1] / _database_PDB_matrix.origx[2][2] / _database_PDB_matrix.origx[2][3] / _database_PDB_matrix.origx[3][1] / _database_PDB_matrix.origx[3][2] / _database_PDB_matrix.origx[3][3] / _database_PDB_matrix.origx_vector[1] / _database_PDB_matrix.origx_vector[2] / _database_PDB_matrix.origx_vector[3] / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _pdbx_struct_oper_list.id / _pdbx_struct_oper_list.matrix[1][1] / _pdbx_struct_oper_list.matrix[1][2] / _pdbx_struct_oper_list.matrix[1][3] / _pdbx_struct_oper_list.matrix[2][1] / _pdbx_struct_oper_list.matrix[2][2] / _pdbx_struct_oper_list.matrix[2][3] / _pdbx_struct_oper_list.matrix[3][1] / _pdbx_struct_oper_list.matrix[3][2] / _pdbx_struct_oper_list.matrix[3][3] / _pdbx_struct_oper_list.name / _pdbx_struct_oper_list.symmetry_operation / _pdbx_struct_oper_list.type / _pdbx_struct_oper_list.vector[1] / _pdbx_struct_oper_list.vector[2] / _pdbx_struct_oper_list.vector[3] / _pdbx_validate_torsion.phi / _pdbx_validate_torsion.psi / _struct_conn.pdbx_dist_value / _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 / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Details: Coordinates and associated matrices have been transformed from the icosahedral point symmetry frame to the crystallographic frame
Provider: repository / Type: Remediation

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: FELINE PANLEUKOPENIA VIRUS CAPSID
hetero molecules


Theoretical massNumber of molelcules
Total (without water)61,7414
Polymers61,6211
Non-polymers1203
Water00
1
A: FELINE PANLEUKOPENIA VIRUS CAPSID
hetero molecules
x 60


Theoretical massNumber of molelcules
Total (without water)3,704,444240
Polymers3,697,23060
Non-polymers7,214180
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
point symmetry operation59
2


  • Idetical with deposited unit
  • icosahedral asymmetric unit
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
A: FELINE PANLEUKOPENIA VIRUS CAPSID
hetero molecules
x 5


  • icosahedral pentamer
  • 309 kDa, 5 polymers
Theoretical massNumber of molelcules
Total (without water)308,70420
Polymers308,1035
Non-polymers60115
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
point symmetry operation4
4
A: FELINE PANLEUKOPENIA VIRUS CAPSID
hetero molecules
x 6


  • icosahedral 23 hexamer
  • 370 kDa, 6 polymers
Theoretical massNumber of molelcules
Total (without water)370,44424
Polymers369,7236
Non-polymers72118
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
point symmetry operation5
5


  • Idetical with deposited unit in distinct coordinate
  • icosahedral asymmetric unit, std point frame
TypeNameSymmetry operationNumber
transform to point frame1
6
A: FELINE PANLEUKOPENIA VIRUS CAPSID
hetero molecules
x 60


  • crystal asymmetric unit, crystal frame
  • 3.7 MDa, 60 polymers
Theoretical massNumber of molelcules
Total (without water)3,704,444240
Polymers3,697,23060
Non-polymers7,214180
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z2
point symmetry operation59
Unit cell
Length a, b, c (Å)380.12, 379.25, 350.82
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121
SymmetryPoint symmetry: (Hermann–Mauguin notation: 532 / Schoenflies symbol: I (icosahedral))
Noncrystallographic symmetry (NCS)NCS oper:
IDCodeMatrixVector
1given(1), (1), (1)
2generate(0.68792132, 0.6514864, -0.31989009), (-0.62593677, 0.30944772, -0.7158529), (-0.36737919, 0.69268137, 0.62066495)60.6679, 118.90606, 71.3151
3generate(0.18296741, 0.42819046, -0.88497222), (-0.3613005, -0.80788937, -0.46559288), (-0.91432211, 0.40492916, 0.00688798)157.05533, 66.67589, 175.65377
4generate(0.18296741, -0.36130042, -0.91432208), (0.4281905, -0.80788939, 0.40492923), (-0.88497223, -0.46559284, 0.006888)155.95814, -84.5102, 168.82352
5generate(0.68792132, -0.62593667, -0.36737917), (0.65148649, 0.30944768, 0.69268145), (-0.31989008, -0.71585283, 0.62066498)58.89261, -125.71817, 60.26352
6generate(-0.65122136, -0.32572784, -0.68542841), (-0.32572788, -0.6957995, 0.64012848), (-0.68542841, 0.6401284, 0.34702085)115.6251, -125.27427, 118.36814
7generate(0.00770812, -0.99984108, 0.0160711), (-0.02371855, 0.01588422, 0.99959252), (-0.99968897, -0.00808614, -0.02359234)-11.49553, -182.11945, 177.64761
8generate(0.62523569, -0.29324466, 0.72324816), (-0.3934885, 0.68186213, 0.61662861), (-0.67397861, -0.67012798, 0.31093615)-128.76895, -110.38363, 114.3546
9generate(0.34795926, 0.81756918, 0.45880811), (-0.92402825, 0.38177542, 0.02047984), (-0.15841798, -0.43107779, 0.88829931)-74.12727, -9.20328, 15.9579
10generate(-0.44093459, 0.79749347, -0.41180188), (-0.88214988, -0.4696663, 0.03500356), (-0.16549434, 0.37870518, 0.91060089)76.91656, -18.4062, 18.4384
11generate(0.07412105, 0.99450294, 0.07395834), (0.99450307, -0.07921343, 0.06847626), (0.07395834, 0.06847626, -0.99490762)-5.83402, -19.62003, 348.55605
12generate(-0.59867727, 0.40726508, -0.68972506), (0.70856571, 0.67082504, -0.2189257), (0.37352407, -0.61978129, -0.69018175)122.18952, 36.17881, 290.23325
13generate(-0.41337442, -0.74176255, -0.52811913), (0.14797215, 0.51756045, -0.84275472), (0.89845749, -0.42652009, -0.10418603)85.10751, 143.31846, 189.97804
14generate(0.37394737, -0.86466282, 0.33544222), (0.08744363, -0.32720075, -0.94090028), (0.92331846, 0.38117945, -0.04674663)-65.83398, 153.73556, 186.33971
15generate(0.67523614, 0.20840827, 0.70754657), (0.61062851, -0.69602728, -0.37772857), (0.41374995, 0.68710401, -0.59724284)-122.03894, 53.03403, 284.3463
16generate(-0.42289969, -0.66877511, 0.61147007), (-0.66877519, -0.22498707, -0.70860474), (0.61147007, -0.70860465, -0.35211323)-113.09508, 113.3983, 230.76382
17generate(-0.09695216, -0.05891041, 0.99354406), (-0.05891039, -0.99615697, -0.06481391), (0.99354409, -0.06481393, 0.09310914)-174.66589, -4.46143, 158.49204
18generate(-0.39482869, 0.60681675, 0.6898432), (0.60681685, -0.39153321, 0.69171899), (0.68984323, 0.6917189, -0.2136381)-116.69788, -131.10671, 217.70159
19generate(-0.90487404, 0.40839406, 0.12007174), (0.40839413, 0.75331472, 0.51549121), (0.12007175, 0.51549119, -0.84844068)-19.30088, -91.51807, 326.56688
20generate(-0.92222287, -0.37996506, 0.07163448), (-0.37996512, 0.85624589, -0.34995644), (0.07163447, -0.34995636, -0.93402303)-17.07423, 59.59433, 334.63978
21generate(-0.3119469, 0.94904228, 0.04480807), (-0.39033496, -0.08501879, -0.91673908), (-0.86621464, -0.30346407, 0.3969657)-1.42642, 151.03361, 102.07748
22generate(-0.82509694, 0.12148752, -0.55177515), (0.12148751, -0.91561486, -0.38326257), (-0.55177513, -0.38326258, 0.74071181)95.69079, 51.86622, 41.75199
23generate(-0.44093458, -0.88214976, -0.16549435), (0.79749356, -0.46966631, 0.37870526), (-0.41180184, 0.03500354, 0.91060089)20.7296, -76.96795, 15.52864
24generate(0.30964087, -0.67487696, 0.66982354), (0.70346581, 0.63654112, 0.31615078), (-0.6397331, 0.37330473, 0.67185199)-122.71618, -57.42446, 59.64721
25generate(0.38935964, 0.45686196, 0.79979758), (-0.03065259, 0.87426635, -0.48447785), (-0.92057564, 0.16412024, 0.35440799)-136.40935, 83.48825, 113.13734
26generate(-0.13669577, -0.53005044, 0.8368756), (0.91024646, -0.40053172, -0.10500386), (0.39085261, 0.74740938, 0.5372275)-151.08204, 8.03906, 86.92565
27generate(-0.06970856, 0.3266098, 0.94258511), (0.91546171, 0.39633534, -0.06962924), (-0.39632138, 0.85804676, -0.32662678)-162.71943, 8.14779, 237.82179
28generate(-0.59867725, 0.70856562, 0.37352405), (0.4072651, 0.67082505, -0.61978138), (-0.68972508, -0.21892566, -0.69018178)-60.89207, 105.84798, 292.51135
29generate(-0.9925851, 0.08796708, -0.08388455), (0.08796706, 0.04360194, -0.9951687), (-0.08388453, -0.9951686, -0.05101684)13.67809, 166.1213, 175.41521
30generate(-0.70706484, -0.67753974, 0.20248245), (0.39882663, -0.61853295, -0.67701871), (0.5839492, -0.3979407, 0.70756381)-42.06238, 105.67206, 48.35626
31generate(0.92401757, -0.38234072, -0.0026641), (-0.18128398, -0.44422949, 0.8773804), (-0.33664176, -0.81023185, -0.47978807)-2.60864, -164.55605, 251.44976
32generate(0.87595123, 0.48182504, -0.02353786), (-0.16898085, 0.3521752, 0.92055318), (0.45183502, -0.80238218, 0.38990755)7.79695, -165.80528, 100.4688
33generate(0.30964084, 0.70346573, -0.63973311), (-0.67487702, 0.63654112, 0.37330475), (0.66982355, 0.31615073, 0.67185202)116.55238, -68.53189, 60.27887
34generate(0.00770809, -0.02371854, -0.99968894), (-0.9998412, 0.01588424, -0.00808616), (0.01607107, 0.99959242, -0.02359234)173.36135, -7.16439, 186.42109
35generate(0.38741379, -0.69478383, -0.60595864), (-0.69478392, -0.65206873, 0.30344972), (-0.6059587, 0.3034497, -0.73534506)99.71579, -66.51059, 304.5712
36generate(-0.47537489, -0.03665113, -0.87901957), (-0.33862752, 0.92978001, 0.14436254), (0.81200379, 0.36628654, -0.45440513)151.8131, -26.01262, 257.23511
37generate(0.01885427, -0.92992236, -0.3672721), (-0.86796838, 0.16710432, -0.46766137), (0.49626149, 0.32759799, -0.80399258)55.9277, 74.29527, 317.64541
38generate(0.72997099, -0.52988159, 0.43170341), (-0.52988164, -0.83769986, -0.13222863), (0.43170338, -0.13222861, -0.89227113)-79.6939, 8.15585, 329.36913
39generate(0.67523613, 0.61062843, 0.41374996), (0.20840833, -0.6960273, 0.68710409), (0.70754656, -0.37772855, -0.59724281)-67.62726, -133.02844, 276.20448
40generate(-0.06970859, 0.91546161, -0.39632139), (0.32660988, 0.39633532, 0.85804684), (0.94258514, -0.06962924, -0.32662673)75.45193, -154.14572, 231.6232
41generate(-0.31194692, -0.39033487, -0.86621462), (0.94904239, -0.08501881, -0.30346407), (0.04480811, -0.91673899, 0.39696573)146.92972, 45.17128, 98.00105
42generate(0.34795925, -0.92402813, -0.15841797), (0.81756928, 0.38177542, -0.43107781), (0.45880815, 0.02047985, 0.88829931)19.8172, 70.99686, 20.02329
43generate(0.87595124, -0.16898086, 0.45183502), (0.48182508, 0.35217524, -0.80238225), (-0.02353786, 0.92055309, 0.3899075)-80.24299, 135.25013, 113.64255
44generate(0.54236209, 0.83135728, 0.12119547), (0.40579686, -0.13291292, -0.90424727), (-0.73564415, 0.53961012, -0.40944916)-14.97106, 149.13525, 249.48019
45generate(-0.19179936, 0.69455298, -0.69340401), (0.69455303, -0.4031137, -0.59589888), (-0.69340401, -0.59589884, -0.40508694)125.4294, 93.46346, 239.81322
46generate(0.92401756, -0.18128398, -0.33664173), (-0.38234078, -0.44422945, -0.81023194), (-0.00266414, 0.87738032, -0.47978811)57.22753, 129.6346, 265.01389
47generate(0.87279885, 0.31270151, -0.37475312), (0.31270154, -0.94778817, -0.06257259), (-0.37475316, -0.06257259, -0.92501067)67.72233, -4.16456, 334.96197
48generate(0.54236207, 0.40579685, -0.73564412), (0.8313574, -0.13291296, 0.53961018), (0.12119547, -0.90424718, -0.40944911)131.12975, -102.35374, 238.819
49generate(0.3893596, -0.03065255, -0.92057562), (0.45686204, 0.87426634, 0.16412025), (0.79979761, -0.48447779, 0.35440803)159.82289, -29.23884, 109.4513
50generate(0.62523566, -0.39348845, -0.67397858), (-0.29324469, 0.68186216, -0.67012806), (0.72324816, 0.61662856, 0.31093615)114.14881, 114.13784, 125.64063
51generate(-0.47537485, -0.3386275, 0.81200378), (-0.03665115, 0.92978, 0.36628654), (-0.87901959, 0.14436256, -0.45440515)-145.51634, -64.47162, 254.0909
52generate(-0.41337439, 0.14797213, 0.89845746), (-0.74176266, 0.51756044, -0.42652016), (-0.52811916, -0.84275462, -0.10418605)-156.71306, 69.98307, 185.52226
53generate(-0.70706483, 0.39882658, 0.58394915), (-0.67753983, -0.61853295, -0.39794072), (0.20248247, -0.67701868, 0.70756381)-100.12325, 56.10564, 45.84371
54generate(-0.95057598, 0.06726355, 0.30311863), (0.06726357, -0.90845772, 0.41252904), (0.30311868, 0.41252895, 0.8590337)-53.9521, -86.92578, 28.08625
55generate(-0.80738369, -0.38850814, 0.44406414), (0.46335457, 0.04845231, 0.88484747), (-0.36528635, 0.92017047, 0.1408974)-82.00657, -161.44662, 156.79009
56generate(-0.13669579, 0.91024634, 0.39085257), (-0.53005046, -0.40053174, 0.74740947), (0.83687562, -0.10500389, 0.53722753)-61.94492, -141.83026, 80.58216
57generate(-0.80738371, 0.4633545, -0.36528637), (-0.38850816, 0.04845231, 0.92017056), (0.44406416, 0.88484737, 0.14089741)65.86953, -168.31138, 157.18048
58generate(-0.71124848, -0.63564258, -0.30014006), (-0.63564265, 0.39927067, 0.6607128), (-0.30014008, 0.66071277, -0.6880222)45.93249, -120.49803, 299.38274
59generate(0.01885429, -0.86796828, 0.49626152), (-0.92992247, 0.1671043, 0.32759799), (-0.36727215, -0.46766128, -0.80399258)-94.20373, -64.46663, 310.67026
60generate(0.37394739, 0.08744361, 0.92331845), (-0.86466291, -0.32720078, 0.38117948), (0.3354422, -0.94090019, -0.04674661)-160.87564, -77.65068, 175.44406

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Components

#1: Protein FELINE PANLEUKOPENIA VIRUS CAPSID


Mass: 61620.500 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Feline panleukopenia virus / Genus: Parvovirus / References: UniProt: P24840
#2: Chemical ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Ca
Source detailsVIRUS GROWN IN A CELL CULTURE OF NORDEN LABORATORY FELINE KIDNEY CELLS

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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

Crystal growTemperature: 294 K / Method: vapor diffusion, hanging drop / pH: 7.5
Details: 0.75-1.5% PEG8000, 8 mM CaCl2, 20 mM Tris pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Crystal grow
*PLUS
Temperature: 19 ℃ / Method: vapor diffusion, sitting drop
Components of the solutions
*PLUS
IDConc.Common nameCrystal-IDSol-IDChemical formula
110 mg/mlvirus1drop
220 mMBis-Tris1drop
320 mMTris-HCl1drop
40.75-1.50 %PEG80001reservoir
58 mM or 5 mM EDTA1reservoirCaCl2

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Data collection

Diffraction
IDMean temperature (K)Crystal-ID
12771
21
Diffraction sourceSource: SYNCHROTRON / Site: CHESS / Beamline: F1 / Wavelength: 0.9, 1.4
Detector
IDDetectorDate
1OSCILLATION CAMERAJan 15, 1992
2OSCILLATION CAMERAJan 15, 1993
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
IDWavelength (Å)Relative weight
10.91
21.41
ReflectionResolution: 2.7→37.8 Å / Num. all: 918139 / Num. obs: 547268 / % possible obs: 59.6 % / Observed criterion σ(I): 2 / Rmerge(I) obs: 0.146 / Net I/σ(I): 11.2
Reflection shellResolution: 3→3.2 Å / % possible all: 35
Reflection shell
*PLUS
% possible obs: 35 %

-
Processing

Software
NameVersionClassification
GLRFphasing
TRANSFmodel building
ENVELOPEmodel building
CNS0.5refinement
TRANSFphasing
ENVELOPEphasing
RefinementResolution: 3→9 Å / σ(F): 0 / Stereochemistry target values: Engh & Huber
Details: restrained least squares with strictly enforced icosahedral symmetry
RfactorNum. reflection% reflection
Rwork0.285 --
all0.285 918139 -
obs0.285 547268 59.6 %
Rfree-0 -
Refinement stepCycle: LAST / Resolution: 3→9 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4351 0 3 0 4354
Refine LS restraints
Refine-IDTypeDev ideal
X-RAY DIFFRACTIONc_bond_d0.008638
X-RAY DIFFRACTIONc_angle_deg1.589
Software
*PLUS
Name: CNS / Version: 0.5 / Classification: refinement
LS refinement shell
*PLUS
Rfactor Rwork: 0.395

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