2Z38
Crystal structure of chloride bound Brassica juncea chitinase catalytic module (Bjchi3)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-02-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.934 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.475, 49.195, 100.907 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.630 - 1.800 |
R-factor | 0.157 |
Rwork | 0.155 |
R-free | 0.19800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2z37 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.156 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.830 |
High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
Rmerge | 0.112 | 0.088 | 0.311 |
Number of reflections | 23001 | ||
<I/σ(I)> | 19.7 | ||
Completeness [%] | 99.7 | 95.8 | 100 |
Redundancy | 6.8 | 5.7 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 295 | 25% mono methyl PEG 5000, 0.5M LiCl, 0.1M cacodylate buffer, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 295K |