2WLZ
Chitinase A from Serratia marcescens ATCC990 in complex with Chitobio- thiazoline.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-12-15 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 130.643, 201.272, 59.273 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 109.760 - 1.820 |
R-factor | 0.18581 |
Rwork | 0.184 |
R-free | 0.21778 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1edq |
RMSD bond length | 0.019 |
RMSD bond angle | 1.737 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0097) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.900 | 1.910 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.170 | 1.060 |
Number of reflections | 69869 | |
<I/σ(I)> | 7.4 | 0.8 |
Completeness [%] | 97.3 | 81.3 |
Redundancy | 4.4 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 1.0M SODIUM CITRATE 10MM SODIUM BORATE PH8 DIOXANE 20%, pH 8.0 |