9DRN
Crystal structure of Mycobacterium tuberculosis biotin protein ligase in complex with Bio-4
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-15 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.865, 69.748, 115.458 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.520 - 2.980 |
| R-factor | 0.1747 |
| Rwork | 0.170 |
| R-free | 0.27340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.191 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874_0000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.520 | 3.087 |
| High resolution limit [Å] | 2.980 | 2.980 |
| Number of reflections | 10913 | 1042 |
| <I/σ(I)> | 7.49 | |
| Completeness [%] | 99.5 | |
| Redundancy | 2 | |
| CC(1/2) | 0.995 | 0.836 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% MPEG 2000, 50 mM trimethylamine N-oxide, and 100 mM Tris pH 8.5 |
