4OUI
Structure of Vibrio cholerae chitin de-N-acetylase in complex with TRIACETYLCHITOTRIOSE (CTO)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-13 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.100, 98.940, 154.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 83.320 - 2.170 |
R-factor | 0.1636 |
Rwork | 0.161 |
R-free | 0.21360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nz4 |
RMSD bond length | 0.022 |
RMSD bond angle | 1.378 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.320 | 2.230 |
High resolution limit [Å] | 2.170 | 2.170 |
Rmerge | 0.122 | 0.479 |
Number of reflections | 52387 | |
<I/σ(I)> | 12.7 | 2.2 |
Completeness [%] | 99.1 | 92.8 |
Redundancy | 5.9 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.1M MgCl2, 0.1M TRIS pH 8.5, 17% (w/v) PEG 20000, VAPOR DIFFUSION, SITTING DROP, temperature 291K |