8J4X
Structure of Mycobacterium tuberculosis NrdF2:NrdIcomplex (oxidised) determined at 3 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 160.500, 160.500, 312.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.270 - 3.040 |
| R-factor | 0.2207 |
| Rwork | 0.219 |
| R-free | 0.25360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.437 |
| 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] | 48.370 | 3.149 |
| High resolution limit [Å] | 3.040 | 3.040 |
| Number of reflections | 149656 | 7797 |
| <I/σ(I)> | 5.6 | |
| Completeness [%] | 99.8 | |
| Redundancy | 20 | |
| CC(1/2) | 0.722 | 0.387 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293.15 | 0.1M MES pH 6, 1.4M NaCl, 0.075M sodium phosphate monobasic, 0.075M potassium phosphate monobasic |
