3RX8
structure of AaCel9A in complex with cellobiose-like isofagomine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-15 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 85.410, 129.340, 49.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.260 - 2.560 |
R-factor | 0.1677 |
Rwork | 0.164 |
R-free | 0.23390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gzk |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.8.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.710 |
High resolution limit [Å] | 2.560 | 2.560 |
Rmerge | 0.140 | 0.635 |
Number of reflections | 16969 | |
<I/σ(I)> | 8.4 | 2.15 |
Completeness [%] | 92.1 | 93.6 |
Redundancy | 3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 40% MPD, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |