3B9A
Crystal structure of Vibrio harveyi chitinase A complexed with hexasaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-01-23 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.704, 83.323, 106.565 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.800 |
R-factor | 0.18223 |
Rwork | 0.181 |
R-free | 0.21013 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3b9e |
RMSD bond length | 0.006 |
RMSD bond angle | 0.990 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.847 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.070 | 0.312 |
Number of reflections | 53131 | |
<I/σ(I)> | 26.3 | 6.1 |
Completeness [%] | 99.7 | 99 |
Redundancy | 8.5 | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 288 | 16% (w/v) PEG 4000, 0.1M magnesium chloride, 0.1M HEPES pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 288K |