6BU2
Crystal structure of methylmalonyl-CoA epimerase from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2015-04-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.379, 51.525, 53.620 |
Unit cell angles | 90.00, 105.66, 90.00 |
Refinement procedure
Resolution | 44.659 - 1.997 |
R-factor | 0.1891 |
Rwork | 0.187 |
R-free | 0.23340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jc5 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.897 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.660 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.046 | 0.158 |
Number of reflections | 16637 | 827 |
<I/σ(I)> | 16.5 | |
Completeness [%] | 99.6 | 99.5 |
Redundancy | 5.7 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 1.5 M Ammonium sulfate, 0.1 M BIS-TRIS propane pH 7.0 |