5YMR
The Crystal Structure of IseG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-06 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 110.111, 159.444, 115.378 |
| Unit cell angles | 90.00, 91.66, 90.00 |
Refinement procedure
| Resolution | 48.270 - 2.400 |
| R-factor | 0.217 |
| Rwork | 0.212 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.897 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.398 | 2.400 |
| Rmerge | 0.146 | 0.559 |
| Number of reflections | 153197 | |
| <I/σ(I)> | 5.8 | |
| Completeness [%] | 98.7 | 92.6 |
| Redundancy | 3.2 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298.15 | 0.2M sodium malonate dibasic monohydrate, 0.1M Bis-Tris propane, pH 8.5, 20% (w/v) PEG 3350 |
