4HJR
Crystal structure of F2YRS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-08 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.636, 72.175, 81.744 |
| Unit cell angles | 90.00, 91.27, 90.00 |
Refinement procedure
| Resolution | 29.729 - 2.500 |
| R-factor | 0.2449 |
| Rwork | 0.242 |
| R-free | 0.29850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j1u |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.666 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (- auto MR) |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.089 | 0.329 |
| Number of reflections | 20580 | |
| <I/σ(I)> | 18.98 | 3.97 |
| Completeness [%] | 96.9 | 94.1 |
| Redundancy | 2.8 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 289 | 50 mM Tris, pH 7.5, 500 mM NaCl, 10 mM -mercaptoethanol,VAPOR DIFFUSION, SITTING DROP, temperature 289K, temperature 289.0K |
