1ITX
Catalytic Domain of Chitinase A1 from Bacillus circulans WL-12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-05-18 |
Detector | MARRESEARCH |
Wavelength(s) | 0.50000 |
Spacegroup name | P 1 |
Unit cell lengths | 43.007, 46.839, 55.700 |
Unit cell angles | 109.29, 95.45, 116.68 |
Refinement procedure
Resolution | 36.793 - 1.100 |
R-factor | 0.11735 |
Rwork | 0.116 |
R-free | 0.13719 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ctn |
RMSD bond length | 0.012 |
RMSD bond angle | 1.675 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.793 | 1.130 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.042 | 0.248 |
Number of reflections | 139823 | |
<I/σ(I)> | 10.1 | 2.4 |
Completeness [%] | 98.1 | 97.2 |
Redundancy | 1.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 293 | PEG 4000, potassium dihydrophosphate, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |