3NR4
Pyrabactin-bound PYL2
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 | 2010-02-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.90635 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 62.950, 106.120, 187.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.998 - 2.006 |
R-factor | 0.1918 |
Rwork | 0.189 |
R-free | 0.23670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kdh |
RMSD bond length | 0.008 |
RMSD bond angle | 1.033 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.998 | 2.130 |
High resolution limit [Å] | 2.006 | 2.006 |
Rmerge | 0.083 | 44.900 |
Number of reflections | 81451 | |
Completeness [%] | 92.0 | 90.4 |
Redundancy | 2.1 |
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 |