2Z39
Crystal structure of Brassica juncea chitinase catalytic module Glu234Ala mutant (Bjchi3-E234A)
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 | 2004-06-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.988, 47.254, 77.668 |
| Unit cell angles | 90.00, 100.85, 90.00 |
Refinement procedure
| Resolution | 37.100 - 1.700 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z37 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.317 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.472 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.210 | 0.543 |
| Total number of observations | 17883 | |
| Number of reflections | 47339 | |
| <I/σ(I)> | 2.3 | 1.2 |
| Completeness [%] | 97.3 | 97.5 |
| Redundancy | 3.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 295 | 20% PEG 3350, 0.2M ammonium formate, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
