6H28
Structure of S70A BlaC from Mycobacterium tuberculosis obtained from crystals produced in the absence of DTT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.975 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.590, 41.700, 76.760 |
| Unit cell angles | 101.31, 90.02, 90.05 |
Refinement procedure
| Resolution | 40.890 - 1.190 |
| R-factor | 0.18949 |
| Rwork | 0.188 |
| R-free | 0.22377 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gdn |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.096 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.890 | 1.210 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rpim | 0.068 | 0.461 |
| Number of reflections | 458598 | 12483 |
| <I/σ(I)> | 7.4 | 2.1 |
| Completeness [%] | 83.8 | 45.3 |
| Redundancy | 3.6 | 2.1 |
| CC(1/2) | 0.991 | 0.452 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 20% w/v PEG8000 |
