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 |
