3NS2
High-resolution structure of pyrabactin-bound PYL2
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 | 2009-11-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.2802 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 62.520, 104.600, 184.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.375 - 1.634 |
R-factor | 0.197 |
Rwork | 0.196 |
R-free | 0.21790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kdh |
RMSD bond length | 0.006 |
RMSD bond angle | 1.076 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.700 |
High resolution limit [Å] | 1.634 | 1.634 |
Rmerge | 0.068 | 0.476 |
Number of reflections | 74791 | |
<I/σ(I)> | 3.23 | |
Completeness [%] | 99.8 | 99.3 |
Redundancy | 7.4 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 1M sodium citrate tribasic, 100mM Tris, pH8.5, 79mM MEGA-8 (Octanoyl-N-methylglucamide), VAPOR DIFFUSION, HANGING DROP, temperature 291K |