8J4W
Structure of Mycobacterium thermoresistibile NrdI(reduced) determined at 1.1 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.737, 36.840, 48.371 |
| Unit cell angles | 90.00, 111.53, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.210 |
| R-factor | 0.1389 |
| Rwork | 0.137 |
| R-free | 0.17100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.927 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.257 |
| High resolution limit [Å] | 1.200 | 1.214 |
| Number of reflections | 3774695 | 3510 |
| <I/σ(I)> | 50.08 | |
| Completeness [%] | 99.9 | 99.24 |
| Redundancy | 106.1 | 104.6 |
| CC(1/2) | 0.960 | 0.860 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293.15 | 0.15M potassium phosphate monobasic and 18% PEG 3350. For reduction crystals are soaked in sodium dithionite solution |
