2O2C
Crystal structure of phosphoglucose isomerase from T. brucei containing glucose-6-phosphate in the active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2004-10-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 125.837, 221.253, 128.087 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.580 |
Rwork | 0.200 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t10 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.640 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmerge | 0.063 | 0.352 |
Number of reflections | 243991 | |
<I/σ(I)> | 13.1 | 3.4 |
Completeness [%] | 99.7 | 97.8 |
Redundancy | 4.3 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 10% PEG 3350, 50 mM sodium citrate and 50 mM dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |