4QNU
Crystal structure of CmoB bound with Cx-SAM in P21212
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 184.803, 347.551, 59.415 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.910 - 2.600 |
| R-factor | 0.22284 |
| Rwork | 0.221 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.286 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.620 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmerge | 0.125 | 0.739 |
| Number of reflections | 100578 | |
| <I/σ(I)> | 8.8 | 2 |
| Completeness [%] | 85.1 | 87.1 |
| Redundancy | 2.8 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M HEPES:NaOH pH 7.5, 0.2M MgCl2, 30% (v/v) PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
