4RVU
The native structure of mycobacterial Rv1454c complexed with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.195, 43.464, 160.620 |
| Unit cell angles | 90.00, 106.16, 90.00 |
Refinement procedure
| Resolution | 26.097 - 1.799 |
| R-factor | 0.1787 |
| Rwork | 0.178 |
| R-free | 0.20860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qor |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.190 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.799 | 1.799 |
| Rmerge | 0.076 | 0.387 |
| Number of reflections | 118593 | |
| <I/σ(I)> | 5.4 | 5.4 |
| Completeness [%] | 97.2 | 95 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.2 M ammonium acetate, 0.1 M Bis-Tris, pH 5.5, and 25 % w/v polyethylene glycol 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
