1X6N
Crystal structure of S. marcescens chitinase A mutant W167A in complex with allosamidin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-04-16 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 76.670, 133.070, 192.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.940 - 2.000 |
R-factor | 0.214 |
Rwork | 0.214 |
R-free | 0.23800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x6l |
RMSD bond length | 0.006 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.064 | 0.527 |
Number of reflections | 64829 | |
<I/σ(I)> | 12.8 | 1.9 |
Completeness [%] | 97.3 | 82.2 |
Redundancy | 6.2 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | methanol,Hepes, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |