4KWA
Crystal structure of a putative transcriptional regulator from Saccharomonospora viridis in complex with choline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-22 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.987856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.901, 77.355, 109.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.830 - 1.800 |
R-factor | 0.20236 |
Rwork | 0.199 |
R-free | 0.25946 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ich |
RMSD bond length | 0.020 |
RMSD bond angle | 2.018 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.052 | 0.630 |
Number of reflections | 34150 | |
<I/σ(I)> | 41.05 | 3.1 |
Completeness [%] | 98.7 | 100 |
Redundancy | 5.2 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M Sodium iodide, 0.1 M Bis Tris propane, 20% w/v PEG 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |