4Z2H
Serratia marcescens Chitinase B complexed with macrolide inhibitor 29
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 | 2012-04-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9800 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 97.997, 97.997, 196.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.300 - 2.350 |
R-factor | 0.16989 |
Rwork | 0.168 |
R-free | 0.19797 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wd0 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.409 |
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] | 40.000 | 2.400 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.149 | 0.577 |
Number of reflections | 40914 | |
<I/σ(I)> | 16.1 | 4.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.9 | 9.1 |
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 |