8U4A
Crystal Structure of BlCel9A from Glycoside Hydrolase Family 9 in Complex with Cellotriose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-09-29 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 1.45867 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 133.114, 67.178, 100.838 |
Unit cell angles | 90.00, 125.00, 90.00 |
Refinement procedure
Resolution | 49.190 - 1.970 |
R-factor | 0.1508 |
Rwork | 0.149 |
R-free | 0.18810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1js4 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.207 |
Data reduction software | autoPROC |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 5.870 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.072 | |
Rmeas | 0.080 | 0.800 |
Rpim | 0.035 | |
Number of reflections | 48767 | 48605 |
<I/σ(I)> | 16.75 | 16.82 |
Completeness [%] | 94.3 | 93.8 |
Redundancy | 4.9 | |
CC(1/2) | 0.990 | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291.15 | 6 mg/mL protein, 100 mM Tris, pH 8.5, 15% w/v PEG20000, crystal growth within ~5 days |