3ARS
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - apo structure of mutant W275G
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-01-07 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.550, 83.580, 102.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.776 - 2.450 |
R-factor | 0.2008 |
Rwork | 0.198 |
R-free | 0.25870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3b9a |
RMSD bond length | 0.006 |
RMSD bond angle | 0.865 |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.6.0093) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.776 | 2.510 | |
High resolution limit [Å] | 2.450 | 10.950 | 2.450 |
Rmerge | 0.087 | 0.021 | 0.400 |
Rmeas | 0.025 | 0.481 | |
Number of reflections | 20987 | 219 | 1340 |
<I/σ(I)> | 13.52 | 42.1 | 3 |
Completeness [%] | 97.0 | 75.5 | 85.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 5.5 | 293 | 26%(w/v) PEG 4000, 0.2M Ammonium Acetate, 0.1M Sodium Acetate, pH 5.5, hanging drop, temperature 293K |