4Z2G
Serratia marcescens Chitinase B complexed with macrolide inhibitor 26
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9800 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 96.980, 96.980, 193.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.600 |
R-factor | 0.23253 |
Rwork | 0.229 |
R-free | 0.29371 |
Structure solution method | MAD |
Starting model (for MR) | 3wd0 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.590 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.101 | 0.620 |
Number of reflections | 29200 | |
<I/σ(I)> | 16.2 | 3.7 |
Completeness [%] | 99.6 | 98.3 |
Redundancy | 11.8 | 11.1 |
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 |