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1RTY

Crystal Structure of Bacillus subtilis YvqK, a putative ATP-binding Cobalamin Adenosyltransferase, The North East Structural Genomics Target SR128

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X4A
Synchrotron siteNSLS
BeamlineX4A
Temperature [K]100
Detector technologyCCD
Collection date2003-06-15
DetectorADSC QUANTUM 4
Wavelength(s)0.9793, 0.97959, 0.97237
Spacegroup nameP 4
Unit cell lengths104.350, 104.350, 55.985
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution24.600 - 2.400
R-factor0.225
Rwork0.224
R-free0.28000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1nog
RMSD bond length0.006
RMSD bond angle18.300

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCOMO
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]24.6002.490
High resolution limit [Å]2.4002.400
Rmerge0.1010.259
Number of reflections39984
<I/σ(I)>153.99
Completeness [%]86.486.4
Redundancy44
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7

*

27750 mM MES, 12% PEG 20,000 , pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein10 (mg/ml)
21dropTris5 (mM)pH7.
31drop100 (mM)
41dropdithiothreitol5 (mM)
51reservoirMES50 (mM)pH6.2
61reservoirPEG2000012 (%)

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