4C4R
Structure of beta-phosphoglucomutase in complex with a phosphonate analogue of beta-glucose-1-phosphate and magnesium trifluoride
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-01-10 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.012, 54.201, 105.407 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.648 - 1.100 |
R-factor | 0.1504 |
Rwork | 0.149 |
R-free | 0.17260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wf5 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.362 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.700 | 1.160 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.050 | 0.350 |
Number of reflections | 82900 | |
<I/σ(I)> | 12.7 | 4.9 |
Completeness [%] | 93.1 | 85.7 |
Redundancy | 4.7 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.2 | 27-32% PEG 4000, 50-75 MM MAGNESIUM ACETATE, pH 7.2 |