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 |