3SIM
Crystallographic structure analysis of family 18 Chitinase from Crocus vernus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-30 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8123 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 172.270, 37.080, 126.370 |
Unit cell angles | 90.00, 127.01, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.100 |
R-factor | 0.15838 |
Rwork | 0.155 |
R-free | 0.21347 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nar |
RMSD bond length | 0.023 |
RMSD bond angle | 1.628 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.012 | 0.430 |
Number of reflections | 34613 | |
<I/σ(I)> | 2.2 | 1.4 |
Completeness [%] | 96.3 | 95.7 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 0.1M CHES, 20 % (w/v) PEG 8000, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |