3AHT
Crystal structure of rice BGlu1 E176Q mutant in complex with laminaribiose
Experimental 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 | 2007-07-31 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.704, 101.476, 128.291 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.700 - 2.800 |
R-factor | 0.20737 |
Rwork | 0.205 |
R-free | 0.24836 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f4v |
RMSD bond length | 0.006 |
RMSD bond angle | 1.108 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC (5.0 (rigid body refinement for isomorphous crystal)) |
Refinement software | REFMAC (5.0 (rigid body refinement for isomorphous crystal)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.700 | 2.940 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.117 | 0.341 |
Number of reflections | 25956 | |
<I/σ(I)> | 16.1 | 5.8 |
Completeness [%] | 99.0 | 97.1 |
Redundancy | 6.1 | 6.3 |
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, SOAKED WITH 0.010 M LAMINARIBIOSE, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 288K |