3E25
Crystal structure of M. tuberculosis glucosyl-3-phosphoglycerate synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-01 |
Detector | ADSC Q4R |
Wavelength(s) | 0.931 |
Spacegroup name | I 41 |
Unit cell lengths | 100.309, 100.309, 127.035 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.335 - 2.700 |
R-factor | 0.2053 |
Rwork | 0.204 |
R-free | 0.23510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Rubrobacter xylanophilus mannosyl-3-phosphoglycerate synthase (Sa-Moura et al. Acta Cryst. (2008). F64 760-763) |
RMSD bond length | 0.010 |
RMSD bond angle | 1.410 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.900 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.082 | 0.394 |
Number of reflections | 16855 | |
<I/σ(I)> | 9.5 | 2.6 |
Completeness [%] | 97.6 | 98.7 |
Redundancy | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1M Tris pH 8.0, 0.5% polyethyleneglycol monomethyl ether 5000, 0.65M Na-K phosphate tetrahydrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |