3AHV
Semi-active E176Q mutant of rice bglu1 covalent complex with 2-deoxy-2-fluoroglucoside
Replaces: 3F5IExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 105 |
| Detector technology | CCD |
| Collection date | 2007-03-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.226, 100.387, 127.407 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.750 - 1.890 |
| R-factor | 0.19062 |
| Rwork | 0.189 |
| R-free | 0.21339 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cbg |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.442 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.890 | 1.900 |
| Rmerge | 0.083 | 0.352 |
| Number of reflections | 79635 | |
| <I/σ(I)> | 13.3 | 6.1 |
| Completeness [%] | 99.1 | 98.9 |
| Redundancy | 7 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 288 | 22% PEG MME 5000, 0.18M AMMONIUM SULFATE, 0.1M MES, PH 6.7,, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
