5T98
Crystal structure of BuGH2Awt
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-07 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54187 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 116.826, 120.309, 143.871 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 92.290 - 2.600 |
| R-factor | 0.2116 |
| Rwork | 0.209 |
| R-free | 0.26340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.324 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.290 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.171 | 0.899 |
| Number of reflections | 63119 | |
| <I/σ(I)> | 13.8 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.8 | 7.8 |
| CC(1/2) | 0.842 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M ammonium citrate dibasic, 20% PEG 3350 |
