4HME
Crystal structure of cold-adapted chitinase from Moritella marina with a reaction product - NAG2
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 | 65.998, 65.998, 257.537 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.320 - 2.070 |
R-factor | 0.1752 |
Rwork | 0.174 |
R-free | 0.21250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hmc |
RMSD bond length | 0.020 |
RMSD bond angle | 1.850 |
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] | 2.070 | 4.460 | 2.070 |
Rmerge | 0.114 | 0.044 | 0.940 |
Number of reflections | 39600 | ||
<I/σ(I)> | 7.5 | ||
Completeness [%] | 99.5 | 99.7 | 99.1 |
Redundancy | 9.1 | 9 | 7.3 |
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 |