3NEG
Pyrabactin-bound PYL1 structure in the open and close forms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.92001 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 130.230, 130.230, 88.250 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 69.503 - 2.801 |
| R-factor | 0.1974 |
| Rwork | 0.195 |
| R-free | 0.24230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kdj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.198 |
| 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] | 69.503 | 2.950 |
| High resolution limit [Å] | 2.801 | 2.800 |
| Rmerge | 0.095 | 0.422 |
| Number of reflections | 38331 | |
| <I/σ(I)> | 10.5 | 3.4 |
| Completeness [%] | 93.1 | 54.5 |
| Redundancy | 6 |
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 291K |
