3DKI
2.1 A X-ray structure of CysM (Rv1336) from Mycobacterium tuberculosis an O-phosphoserine dependent cysteine synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2008-02-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.93400 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.423, 89.222, 98.766 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.580 - 2.100 |
R-factor | 0.19343 |
Rwork | 0.191 |
R-free | 0.24147 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q3b |
RMSD bond length | 0.012 |
RMSD bond angle | 1.398 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.071 | 0.453 |
Number of reflections | 38431 | |
<I/σ(I)> | 13.9 | 2.6 |
Completeness [%] | 98.8 | 99.7 |
Redundancy | 3.1 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M Tris-HCl pH 7.5, 0.1M K2HPO4, 4.3M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K |