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 |
