4FGK
Oxidized quinone reductase 2 in complex with chloroquine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-18 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.033217 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.370, 83.110, 106.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.667 - 1.401 |
| R-factor | 0.1333 |
| Rwork | 0.133 |
| R-free | 0.17450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.223 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 32.667 | 32.667 | 1.480 |
| High resolution limit [Å] | 1.401 | 4.430 | 1.400 |
| Rmerge | 0.065 | 0.034 | 0.499 |
| Total number of observations | 23297 | 102824 | |
| Number of reflections | 98537 | ||
| <I/σ(I)> | 14.5 | 17.3 | 1.5 |
| Completeness [%] | 99.6 | 98.9 | 99 |
| Redundancy | 7.3 | 6.9 | 7.3 |
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 |
