6S2Q
Mycobacterial hydrolase 1
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 | 2013-12-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.54980 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 96.955, 46.103, 103.247 |
Unit cell angles | 90.00, 104.29, 90.00 |
Refinement procedure
Resolution | 50.026 - 2.500 |
R-factor | 0.1894 |
Rwork | 0.187 |
R-free | 0.23290 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.109 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | Auto-Rickshaw |
Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.030 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.085 | 0.433 |
Rmeas | 0.089 | 0.464 |
Rpim | 0.025 | 0.162 |
Number of reflections | 27533 | 1685 |
<I/σ(I)> | 26.1 | 4.3 |
Completeness [%] | 88.7 | 49.8 |
Redundancy | 12.2 | 7.8 |
CC(1/2) | 0.999 | 0.911 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | MES pH 6.0, sodium iodide, PEG 6000 |