3MCU
Crystal structure of the dipicolinate synthase chain B from Bacillus cereus. Northeast Structural Genomics Consortium Target BcR215.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-28 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.082, 129.257, 132.184 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.253 - 2.303 |
R-factor | 0.1987 |
Rwork | 0.196 |
R-free | 0.24130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lqk |
RMSD bond length | 0.008 |
RMSD bond angle | 1.114 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.097 | 0.405 |
Number of reflections | 106354 | |
<I/σ(I)> | 19.7 | 2.95 |
Completeness [%] | 94.3 | 89.6 |
Redundancy | 6.3 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 291 | 14% PEG 20000, 0.06M potassium phosphate, 0.1M sodium citrate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |