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 |