4HMC
Crystal structure of cold-adapted chitinase from Moritella marina
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-19 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | P 31 1 2 |
Unit cell lengths | 67.622, 67.622, 257.188 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.650 - 2.100 |
R-factor | 0.19007 |
Rwork | 0.188 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ian |
RMSD bond length | 0.018 |
RMSD bond angle | 1.854 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.071 | 0.023 | 0.451 |
Number of reflections | 38154 | ||
<I/σ(I)> | 10.3 | ||
Completeness [%] | 95.5 | 98.9 | 69.6 |
Redundancy | 8.5 | 8.9 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 23% PEG 4000 w/v, 0.16M ammonium sulphate, 0.1M citrate buffer, pH 5.5., VAPOR DIFFUSION, HANGING DROP, temperature 277K |