3RX5
structure of AaCel9A in complex with cellotriose-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 | 2010-05-28 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 85.210, 129.470, 49.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.680 - 1.990 |
R-factor | 0.1678 |
Rwork | 0.166 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gzk |
RMSD bond length | 0.010 |
RMSD bond angle | 1.000 |
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] | 42.680 | 2.110 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.690 | |
Number of reflections | 38137 | |
<I/σ(I)> | 8.5 | 2.6 |
Completeness [%] | 99.1 | 95.8 |
Redundancy | 5 | 5 |
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 |