4WVO
An engineered PYR1 mandipropamid receptor in complex with mandipropamid and HAB1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-11-15 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.459, 66.999, 172.019 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.191 - 2.251 |
R-factor | 0.1862 |
Rwork | 0.182 |
R-free | 0.22930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 3QN1 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.149 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.310 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.087 | 0.763 |
Number of reflections | 25330 | |
<I/σ(I)> | 23.6 | 2.1 |
Completeness [%] | 98.5 | 96.4 |
Redundancy | 6.6 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 22.5% PEG 2000 mono methyl ether 150 mM Sodium malonate |