4H2R
Structure of MHPCO Y270F mutant, 5-hydroxynicotinic acid complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-25 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 56.891, 284.553, 125.001 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.953 - 2.473 |
| R-factor | 0.2095 |
| Rwork | 0.207 |
| R-free | 0.26120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gmb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.513 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.400 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 0.075 | 0.419 |
| Number of reflections | 40356 | |
| <I/σ(I)> | 14.8 | 5.8 |
| Completeness [%] | 95.2 | 91.5 |
| Redundancy | 6.6 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 8% PEG 8000, 0.1M Tris-HCl, 10mM 5-Hydroxynicotinic acid, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
