3GNR
Crystal Structure of a Rice Os3BGlu6 Beta-Glucosidase with covalently bound 2-deoxy-2-fluoroglucoside to the catalytic nucleophile E396
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2009-01-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.679, 90.591, 101.883 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.740 - 1.810 |
R-factor | 0.16357 |
Rwork | 0.162 |
R-free | 0.18476 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gno |
RMSD bond length | 0.012 |
RMSD bond angle | 1.280 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.870 |
High resolution limit [Å] | 1.800 | 1.810 |
Rmerge | 0.045 | 0.184 |
Number of reflections | 44727 | |
<I/σ(I)> | 23.9 | 8.7 |
Completeness [%] | 92.9 | 95.1 |
Redundancy | 3.7 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 288 | 19% PEG 5000 MME, 0.1M Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |