4ZVK
Reduced quinone reductase 2 in complex with ethidium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-09-21 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.020, 82.570, 106.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 16.270 - 1.867 |
R-factor | 0.1542 |
Rwork | 0.152 |
R-free | 0.19850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qr2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.285 |
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] | 16.270 | 16.270 | 1.900 |
High resolution limit [Å] | 1.860 | 8.920 | 1.860 |
Rmerge | 0.123 | 0.028 | 1.112 |
Rpim | 0.063 | 0.016 | 0.611 |
Total number of observations | 174456 | 1522 | 6757 |
Number of reflections | 39460 | ||
<I/σ(I)> | 9.4 | 26.5 | 1.3 |
Completeness [%] | 92.2 | 83.7 | 65.8 |
Redundancy | 4.4 | 4 | 3.8 |
CC(1/2) | 0.995 | 0.998 | 0.577 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 1.7M Ammonium sulfate, 0.1M Hepes |