3NEF
High-resolution pyrabactin-bound PYL1 structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-26 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9067 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 128.570, 128.570, 87.240 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.616 - 2.400 |
R-factor | 0.1899 |
Rwork | 0.188 |
R-free | 0.22280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kdj |
RMSD bond length | 0.008 |
RMSD bond angle | 1.142 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.616 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.103 | 0.365 |
Number of reflections | 30549 | |
<I/σ(I)> | 7.2 | 2.6 |
Completeness [%] | 92.9 | 54.8 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 0.1M citric acid pH 5.5, 0.01M GSH/GSSG, 10% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K |