7C34
Crystal structure of Serratia marcescens Chitinase B complexed with Berberine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL18U |
Synchrotron site | NFPSS |
Beamline | BL18U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-01-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97778 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.091, 103.771, 186.507 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.777 - 1.938 |
R-factor | 0.1633 |
Rwork | 0.163 |
R-free | 0.19530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jk9 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.781 | 2.008 |
High resolution limit [Å] | 1.938 | 1.938 |
Number of reflections | 81619 | 3868 |
<I/σ(I)> | 31 | |
Completeness [%] | 99.9 | |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 1.0 M ammonium sulfate, 10% glycerol, 100 mM HEPES, pH 7.0 |