4RNV
G303 Circular Permutation of Old Yellow Enzyme with the Inhibitor p-Hydroxybenzaldehyde
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.591, 88.076, 105.617 |
| Unit cell angles | 89.45, 81.43, 89.88 |
Refinement procedure
| Resolution | 34.811 - 2.473 |
| R-factor | 0.2168 |
| Rwork | 0.216 |
| R-free | 0.24950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oya |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.538 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.811 | 2.580 |
| High resolution limit [Å] | 2.470 | 2.470 |
| Rmerge | 0.098 | 0.607 |
| Number of reflections | 56814 | |
| <I/σ(I)> | 10.8 | 1.8 |
| Completeness [%] | 98.7 | 97.9 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 18% PEG 3350, 0.2 M MgCl2, 0.25% glucoside, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
