1W1V
Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(L-Arg-L-Pro) at 1.85 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS-IV |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.744, 103.256, 185.689 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.870 - 1.850 |
R-factor | 0.187 |
Rwork | 0.187 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1o6i |
RMSD bond length | 0.012 |
RMSD bond angle | 1.580 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.050 | 0.180 |
Number of reflections | 88471 | |
<I/σ(I)> | 30.1 | 6.96 |
Completeness [%] | 95.5 | 76.1 |
Redundancy | 3.11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 1.5 M AMMONIUM SULPHATE, 0.1 M HEPES PH 7, 25 % GLYCEROL |