8BTU
Structure of D179N BlaC from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-02 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.370, 54.050, 53.640 |
| Unit cell angles | 90.00, 93.20, 90.00 |
Refinement procedure
| Resolution | 38.340 - 1.800 |
| R-factor | 0.18356 |
| Rwork | 0.181 |
| R-free | 0.23790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gdn |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.313 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.340 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rpim | 0.091 | 0.427 |
| Number of reflections | 20045 | 1404 |
| <I/σ(I)> | 5.2 | 1.2 |
| Completeness [%] | 98.4 | 97.7 |
| Redundancy | 1.8 | |
| CC(1/2) | 0.988 | 0.591 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M ammonium acetate; 0.1 M BIS-TRIS buffer; 17% w/v PEG 10K |
