3WD4
Serratia marcescens Chitinase B complexed with azide inhibitor and quinoline compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2011-03-10 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 97.455, 97.455, 197.537 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.170 - 2.000 |
R-factor | 0.16745 |
Rwork | 0.166 |
R-free | 0.18967 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e15 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.432 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.074 | 0.392 |
Number of reflections | 65168 | |
<I/σ(I)> | 36.8 | 7.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.5 | 14.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1M sodium phosphate pH7.0, 0.8M ammonium sulfate, 5% (v/v) glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |