5OKG
Non-conservatively refined structure of Gan1D-E170Q, a catalytic mutant of a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in complex with cellobiose-6-phosphate
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 | 2014-04-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 101.599, 97.480, 105.269 |
| Unit cell angles | 90.00, 97.66, 90.00 |
Refinement procedure
| Resolution | 36.138 - 1.250 |
| R-factor | 0.1391 |
| Rwork | 0.139 |
| R-free | 0.15830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ok7 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.933 |
| 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] | 36.140 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.087 | 1.313 |
| Number of reflections | 538379 | 19928 |
| <I/σ(I)> | 9.1 | |
| Completeness [%] | 96.3 | 72.5 |
| Redundancy | 5.2 | 4.3 |
| CC(1/2) | 0.999 | 0.425 |
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 |
