1GOI
Crystal structure of the D140N mutant of chitinase B from Serratia marcescens at 1.45 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-11-15 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.904, 104.016, 186.524 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.000 - 1.450 |
R-factor | 0.164 * |
R-free | 0.22700 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e15 |
RMSD bond length | 0.017 * |
RMSD bond angle | 2.320 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 17.000 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.037 | 0.380 |
Total number of observations | 600078 * | |
Number of reflections | 191634 | |
<I/σ(I)> | 14.7 | 2.7 |
Completeness [%] | 99.3 | 99.5 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7 | 100 MM HEPES, 1.25 M AMMONIUM SULPHATE, 10% GLYCEROL, pH 7.00 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | glycerol | 10 (%) | |
3 | 1 | reservoir | ammonium sulfate | 1.25 (M) | |
4 | 1 | reservoir | HEPES | 100 (mM) | pH7. |