8U4F
Crystal Structure of BlCel9A from Glycoside Hydrolase Family 9 in Complex with Cellohexaose
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) | 1.45866 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 133.505, 67.641, 100.640 |
Unit cell angles | 90.00, 124.83, 90.00 |
Refinement procedure
Resolution | 49.120 - 2.010 |
R-factor | 0.1802 |
Rwork | 0.178 |
R-free | 0.22710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1js4 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.729 |
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 | 5.990 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.178 | |
Rmeas | 0.202 | |
Rpim | 0.093 | |
Number of reflections | 48607 | 48606 |
<I/σ(I)> | 7.73 | |
Completeness [%] | 98.8 | 98.4 |
Redundancy | 4.2 | |
CC(1/2) | 0.988 | 0.980 |
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 |