4QNX
Crystal structure of apo-CmoB
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 | 2010-07-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.885, 185.634, 75.445 |
| Unit cell angles | 90.00, 101.88, 90.00 |
Refinement procedure
| Resolution | 47.537 - 2.619 |
| R-factor | 0.2028 |
| Rwork | 0.200 |
| R-free | 0.25090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.188 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.680 |
| High resolution limit [Å] | 2.630 | 2.630 |
| Rmerge | 0.078 | 0.837 |
| Number of reflections | 30190 | |
| <I/σ(I)> | 18.14 | 2 |
| Completeness [%] | 98.9 | 99.7 |
| Redundancy | 5.1 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.26M ammonium sulfate, and 100mM HEPES/NaOH pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
