4DE7
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mg2+ and uridine-diphosphate (UDP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-22 |
Detector | NOIR-1 |
Wavelength(s) | 1.00 |
Spacegroup name | I 41 |
Unit cell lengths | 98.850, 98.850, 127.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.077 - 3.000 |
R-factor | 0.2252 |
Rwork | 0.224 |
R-free | 0.24470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.975 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.580 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.107 | 0.413 |
Number of reflections | 12217 | |
<I/σ(I)> | 10.3 | 3.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.22 | 7.08 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 1 mM MgCl2, 5mM UDP, 1.5M NaCl, 10%(v/v) ethanol, Tris-HCL pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |