3QMW
RedJ with PEG molecule bound in the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-10-16 |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 155.545, 45.013, 156.403 |
| Unit cell angles | 90.00, 109.49, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.21798 |
| Rwork | 0.214 |
| R-free | 0.28436 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qmv |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.201 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 33414 | |
| <I/σ(I)> | 11.02 | 2.7 |
| Completeness [%] | 93.5 | 83.7 |
| Redundancy | 2.8 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20% PEG3350, 0.22 M sodium chloride, 2 mM DTT, 0.1 M HEPES, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
