3WD0
Serratia marcescens Chitinase B, tetragonal form
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] | 100 |
Detector technology | CCD |
Collection date | 2009-10-11 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 98.129, 98.129, 197.508 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.310 - 1.700 |
R-factor | 0.1701 |
Rwork | 0.169 |
R-free | 0.18214 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e15 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.250 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.083 | 0.429 |
Number of reflections | 106499 | |
<I/σ(I)> | 33.9 | 5.9 |
Completeness [%] | 99.6 | 100 |
Redundancy | 18.3 | 11.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1M Hepes-Na pH7.0, 0.8M ammonium sulfate, 5% (v/v) glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |