2WM0
Chitinase A from Serratia marcescens ATCC990 in complex with Chitobio- thiazoline thioamide.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-09-24 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 130.823, 201.022, 59.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 109.760 - 1.900 |
R-factor | 0.16095 |
Rwork | 0.159 |
R-free | 0.19515 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1edq |
RMSD bond length | 0.019 |
RMSD bond angle | 1.643 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0097) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.060 | 0.420 |
Number of reflections | 62071 | |
<I/σ(I)> | 20.2 | 3.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.7 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 1.0M SODIUM CITRATE, 10MM SODIUM BORATE PH8, DIOXANE 20%, pH 8.0 |