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 |