6H27
Structure of S70C BlaC from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-09 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.07 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.600, 76.410, 79.320 |
| Unit cell angles | 90.00, 90.70, 90.00 |
Refinement procedure
| Resolution | 79.310 - 1.630 |
| R-factor | 0.23601 |
| Rwork | 0.234 |
| R-free | 0.27514 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gdn |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.895 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.310 | 1.660 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rpim | 0.050 | 0.377 |
| Number of reflections | 58936 | 2940 |
| <I/σ(I)> | 9.7 | |
| Completeness [%] | 99.8 | 98.9 |
| Redundancy | 6.6 | 6.7 |
| CC(1/2) | 0.997 | 0.762 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M NH4NO3 20% w/v PEG3350 |
