2BGS
HOLO ALDOSE REDUCTASE FROM BARLEY
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2004-10-02 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.620, 61.609, 88.485 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.280 - 1.640 |
R-factor | 0.183 |
Rwork | 0.183 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ads |
RMSD bond length | 0.013 |
RMSD bond angle | 1.600 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.100 | 1.720 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.080 | 0.350 |
Number of reflections | 32393 | |
<I/σ(I)> | 6.6 | 1.7 |
Completeness [%] | 94.9 | 82 |
Redundancy | 2.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 3.2 M (NH4)2SO4, O.1 M HEPES PH 7.0, 0.7% BUTANOL |