5OKA
Non-conservatively refined structure of Gan1D-E170Q, a catalytic mutant of a 6-phospho-beta-galactosidase from Geobacillus stearothermophilus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-10 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 101.549, 97.430, 105.249 |
Unit cell angles | 90.00, 97.82, 90.00 |
Refinement procedure
Resolution | 43.912 - 1.250 |
R-factor | 0.1276 |
Rwork | 0.127 |
R-free | 0.14920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ZEH |
RMSD bond length | 0.005 |
RMSD bond angle | 0.894 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.270 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.072 | 0.975 |
Number of reflections | 448160 | 5822 |
<I/σ(I)> | 11.9 | 1.1 |
Completeness [%] | 80.2 | 21.1 |
Redundancy | 5.2 | 3 |
CC(1/2) | 0.999 | 0.450 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 16-19% PEG 8K, 3% MPD, 0.1M imidazole buffer pH 6.5 |