6U7A
Rv3722c in complex with kynurenine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-02 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 31 |
| Unit cell lengths | 108.398, 108.398, 321.344 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.460 - 2.220 |
| R-factor | 0.1803 |
| Rwork | 0.178 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5c6u |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.298 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.361 | 2.228 |
| High resolution limit [Å] | 2.220 | 2.223 |
| Rmerge | 0.138 | |
| Number of reflections | 178462 | 7803 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 89.5 | |
| Redundancy | 7.5 | |
| CC(1/2) | 0.996 | 0.630 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 290 | 100 mM sodium phosphate dibasic / citric acid, 40% ethanol, 5% PEG1000 |
