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 |
