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 |
