6N6S
Crystal structure of ABIN-1 UBAN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-09 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 51.290, 64.780, 104.403 |
| Unit cell angles | 90.00, 91.49, 90.00 |
Refinement procedure
| Resolution | 32.000 - 3.000 |
| R-factor | 0.2998 |
| Rwork | 0.298 |
| R-free | 0.32785 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.269 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.000 | 2.570 |
| High resolution limit [Å] | 2.470 | 2.470 |
| Rmerge | 0.077 | 0.104 |
| Number of reflections | 6860 | 1377 |
| <I/σ(I)> | 9.5 | |
| Completeness [%] | 98.4 | 98.5 |
| Redundancy | 3.2 | 3.2 |
| CC(1/2) | 0.989 | 0.981 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 20% PEG 3350, 0.2 M sodium malonate pH 5.0 |
