3ZI4
The structure of Beta-phosphoglucomutase Inhibited With Glucose-6-phosphate and Scandium Tetrafluoride
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-20 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.152, 54.238, 104.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.330 |
R-factor | 0.13237 |
Rwork | 0.130 |
R-free | 0.17379 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wf6 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.676 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.400 |
High resolution limit [Å] | 1.330 | 1.330 |
Rmerge | 0.050 | 0.450 |
Number of reflections | 46171 | |
<I/σ(I)> | 18.7 | 2.4 |
Completeness [%] | 94.0 | 76.6 |
Redundancy | 3.4 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.2 | 19-21 % PEG 4000 AND 50 MM NAAC, pH 7.2 | ||
1 | 7.2 | 19-21 % PEG 4000 AND 50 MM NAAC, pH 7.2 |