4FGJ
Oxidized quinone reductase 2 in complex with primaquine
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 | 56.500, 83.000, 106.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.057 - 1.346 |
R-factor | 0.1417 |
Rwork | 0.141 |
R-free | 0.16660 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.255 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
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] | 30.057 | 30.057 | 1.420 |
High resolution limit [Å] | 1.346 | 4.260 | 1.350 |
Rmerge | 0.066 | 0.031 | 0.630 |
Total number of observations | 17489 | 76359 | |
Number of reflections | 110793 | ||
<I/σ(I)> | 10.4 | 19.1 | 1.2 |
Completeness [%] | 99.5 | 98.5 | 98.8 |
Redundancy | 4.8 | 4.7 | 4.8 |
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 |