3WR8
Crystal structure of DesB from Sphingobium sp. strain SYK-6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2010-02-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.420, 64.916, 116.247 |
Unit cell angles | 90.00, 94.83, 90.00 |
Refinement procedure
Resolution | 56.630 - 2.250 |
R-factor | 0.193 |
Rwork | 0.191 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bou |
RMSD bond length | 0.010 |
RMSD bond angle | 1.209 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.630 | 2.370 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.090 | |
Number of reflections | 39856 | |
<I/σ(I)> | 15.22 | 4.7 |
Completeness [%] | 99.6 | 99.7 |
Redundancy | 3.64 | 3.69 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.75 | 277 | 25% PEG8000, 0.1M SODIUM ACETATE, 0.1M HEPES-NAOH, pH 7.75, VAPOR DIFFUSION, SITTING DROP, temperature 277K |