7R3T
Crystal structure of the Dimeric C-terminal Big_2-CBM56 domains from Paenibacillus illinoisensis (Bacillus circulans IAM1165) beta-1,3-glucanase H
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-05-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 50.630, 76.380, 106.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.797 - 2.109 |
Rwork | 0.221 |
R-free | 0.29620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7quz |
RMSD bond length | 0.011 |
RMSD bond angle | 1.938 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.630 | 50.630 | 2.170 |
High resolution limit [Å] | 2.109 | 8.950 | 2.110 |
Rmerge | 0.108 | 0.028 | 0.880 |
Rmeas | 0.148 | 0.037 | 1.197 |
Rpim | 0.100 | 0.024 | 0.806 |
Number of reflections | 22371 | 363 | 1566 |
<I/σ(I)> | 7.7 | ||
Completeness [%] | 91.9 | ||
Redundancy | 3.3 | 3.4 | 3 |
CC(1/2) | 0.993 | 0.999 | 0.365 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | 20/30/50 mg/ml Protein concentration in 0.2 Magnesium chloride hexahydrate, 0.1 M HEPES sodium salt pH 7.5. 30% v/v PEG400 |