7BJZ
GLUCOSE ISOMERASE S171W in H32
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-25 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.97624 |
Spacegroup name | H 3 2 |
Unit cell lengths | 132.850, 132.850, 234.850 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 55.870 - 2.130 |
R-factor | 0.2045 |
Rwork | 0.203 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 9xia |
RMSD bond length | 0.007 |
RMSD bond angle | 1.490 |
Data reduction software | xia2 |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.870 | 2.190 |
High resolution limit [Å] | 2.130 | 2.130 |
Number of reflections | 44769 | 3281 |
<I/σ(I)> | 11.2 | |
Completeness [%] | 99.9 | |
Redundancy | 13.5 | |
CC(1/2) | 0.998 | 0.562 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 294 | 30 mg.mL-1 50mM Hepes 7.0 100mM MgCl2 8% (w/v) PEG1000 |