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 |