7A5U
Structure of E37A BlaC from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-21 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.560, 54.739, 54.509 |
| Unit cell angles | 90.00, 95.00, 90.00 |
Refinement procedure
| Resolution | 54.360 - 1.500 |
| R-factor | 0.12703 |
| Rwork | 0.125 |
| R-free | 0.17622 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gdn |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.772 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.300 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rpim | 0.023 | 0.358 |
| Number of reflections | 33194 | 1765 |
| <I/σ(I)> | 10.2 | 1.4 |
| Completeness [%] | 91.5 | 97 |
| Redundancy | 2.5 | |
| CC(1/2) | 0.999 | 0.768 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.1 M sodium acetate, 0.2 M magnesium chloride, 20 % w/v PEG 6000 |
