5H8P
Crystal structure of Mycobacterium tuberculosis malate synthase in apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 81.792, 81.792, 227.079 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.956 - 2.105 |
R-factor | 0.2543 |
Rwork | 0.251 |
R-free | 0.31220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1n8i |
RMSD bond length | 0.008 |
RMSD bond angle | 1.163 |
Data reduction software | DENZO (HKL3000) |
Data scaling software | SCALEPACK (HKL3000) |
Phasing software | REFMAC (CCP4) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.956 | 2.140 |
High resolution limit [Å] | 2.105 | 2.105 |
Rmerge | 0.114 | 0.909 |
Number of reflections | 40305 | |
<I/σ(I)> | 11.66 | 3.21 |
Completeness [%] | 98.2 | 100 |
Redundancy | 12.6 | 13.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | PEG 3350, magnesium chloride, tris |