3LJ0
IRE1 complexed with ADP and Quercetin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Detector technology | CCD |
| Collection date | 2009-03-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 65 |
| Unit cell lengths | 131.020, 131.020, 175.820 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 65.510 - 3.200 |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rio |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.129 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 65.510 |
| High resolution limit [Å] | 2.950 |
| Number of reflections | 35428 |
| Completeness [%] | 98.6 |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 6.5 | 298 | 10% PEG 8K, 50 mM Na-Cacodylate pH 6.5, 300 mM KCl, 100 mM SrOAc, 10 mM MgCl2, 2mM ADP, quercetin, hanging drop, temperature 298K |
