5VKF
RHCC in complex with Naphthalene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-10-31 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 110.359, 110.359, 70.827 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.115 - 2.752 |
| R-factor | 0.2032 |
| Rwork | 0.199 |
| R-free | 0.23920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fe6 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.355 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1-2575_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.120 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.167 | 0.689 |
| Rpim | 0.079 | 0.421 |
| Number of reflections | 13074 | 1821 |
| <I/σ(I)> | 7.2 | 2.4 |
| Completeness [%] | 98.9 | 95.6 |
| Redundancy | 5.1 | 5 |
| CC(1/2) | 0.998 | 0.796 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277.15 | 1.5M Ammonium Sulfate, 0.1M Tris pH 8.5 |
