5ONC
Catabolism of the Cholesterol Side Chain in Mycobacterium tuberculosis is Controlled by a Redox-Sensitive Thiol Switch
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-09 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.8726 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 120.289, 120.289, 206.030 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.170 - 2.190 |
R-factor | 0.1843 |
Rwork | 0.182 |
R-free | 0.22568 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ubw |
RMSD bond length | 0.015 |
RMSD bond angle | 1.619 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.170 | 2.260 |
High resolution limit [Å] | 2.190 | 2.190 |
Number of reflections | 46018 | 3897 |
<I/σ(I)> | 15.2 | 2.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.8 | 9.7 |
CC(1/2) | 0.756 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M citrate, pH 5.5, 0.7 M (NH4)2HPO4, 0.3 M NaCl |