3FW1
Quinone Reductase 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 2007-07-25 |
| Detector | ADSC QUANTUM Q315r |
| Wavelength(s) | 1.2547 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 100.337, 100.337, 104.858 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.864 - 1.750 |
| R-factor | 0.1515 |
| Rwork | 0.150 |
| R-free | 0.18170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qr2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.093 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 31.864 | 36.250 | 1.840 |
| High resolution limit [Å] | 1.750 | 5.530 | 1.750 |
| Rmerge | 0.083 | 0.039 | 0.559 |
| Number of reflections | 27265 | ||
| <I/σ(I)> | 14.4 | 1.3 | |
| Completeness [%] | 100.0 | 99.4 | 100 |
| Redundancy | 9.2 | 8.7 | 9.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 100 mM MES pH 6.0-6.2, 0.015 mM FAD, 62% MPD, vapor diffusion, hanging drop, temperature 293K |
