4ZVM
Oxidized quinone reductase 2 in complex with doxorubicin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-10-17 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.230, 83.340, 106.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.538 - 1.973 |
R-factor | 0.1724 |
Rwork | 0.169 |
R-free | 0.22890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qr2 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.370 |
Data reduction software | MOSFLM (7.1.0) |
Data scaling software | SCALA (0.3.6) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9-1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 15.540 | 15.540 | 2.010 |
High resolution limit [Å] | 1.960 | 8.990 | 1.960 |
Rmerge | 0.099 | 0.034 | 0.614 |
Rpim | 0.040 | 0.015 | 0.267 |
Total number of observations | 252057 | 2307 | 11028 |
Number of reflections | 35891 | ||
<I/σ(I)> | 14.3 | 34.4 | 2.8 |
Completeness [%] | 97.9 | 80.9 | 73.5 |
Redundancy | 7 | 6.4 | 5.9 |
CC(1/2) | 0.998 | 0.999 | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 1.7M Ammonium sulfate, 0.1M Hepes pH 7.0 |