4FGL
Reduced quinone reductase 2 in complex with chloroquine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-01 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.310, 105.710, 82.000 |
| Unit cell angles | 90.00, 90.17, 90.00 |
Refinement procedure
| Resolution | 48.307 - 1.200 |
| R-factor | 0.1596 |
| Rwork | 0.159 |
| R-free | 0.17350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qr2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.311 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.4.0) |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.307 | 48.307 | 1.230 |
| High resolution limit [Å] | 1.200 | 5.370 | 1.200 |
| Rmerge | 0.041 | 0.024 | 0.288 |
| Number of reflections | 287298 | 3300 | 21233 |
| <I/σ(I)> | 19.34 | 49.55 | 4.36 |
| Completeness [%] | 99.8 | 99.7 | 99.9 |
| Redundancy | 3.7 | 3.68 | 3.59 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 1.7M Ammonium sulfate, 0.1M Hepes , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
