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 |