6IPW
Crystal structure of CqsB2 from Streptomyces exfoliatus in complex with the product, 1-(2-hydroxypropyl)-2-methyl-carbazole-3,4-dione
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 | PIXEL |
Collection date | 2017-12-09 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 1.0 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 128.227, 128.227, 125.431 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 125.430 - 2.100 |
R-factor | 0.18009 |
Rwork | 0.178 |
R-free | 0.22389 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ipv |
RMSD bond length | 0.009 |
RMSD bond angle | 1.346 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 125.430 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.132 | 0.543 |
Rpim | 0.035 | 0.145 |
Number of reflections | 61403 | 3009 |
<I/σ(I)> | 24 | |
Completeness [%] | 100.0 | |
Redundancy | 14.7 | |
CC(1/2) | 0.994 | 0.948 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M Tris-HCl (pH8.5), 30% (w/v) PEG 4000, 0.2M LiSO4 |