3NGG
X-ray Structure of Omwaprin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21/c 1 |
| Unit cell lengths | 44.090, 46.558, 39.650 |
| Unit cell angles | 90.00, 92.75, 90.00 |
Refinement procedure
| Resolution | 44.040 - 1.330 |
| R-factor | 0.17602 |
| Rwork | 0.174 |
| R-free | 0.20979 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.947 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.380 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rmerge | 0.079 | 0.383 |
| Number of reflections | 35749 | |
| <I/σ(I)> | 25.5 | 2.5 |
| Completeness [%] | 97.1 | 80.1 |
| Redundancy | 12.7 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 61% Tacsimate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
