4HYL
The crystal structure of an anti-sigma-factor antagonist from Haliangium ochraceum DSM 14365
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97935 |
| Spacegroup name | P 32 |
| Unit cell lengths | 59.466, 59.466, 65.599 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.750 - 1.751 |
| R-factor | 0.2086 |
| Rwork | 0.202 |
| R-free | 0.22930 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.075 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.104 | 0.639 |
| Number of reflections | 26011 | |
| <I/σ(I)> | 32 | 2.4 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 4.6 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.2M Ammonium Sulfate, 22%(w/v) PEG4000, 0.1M Sodium Avetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
