4P3K
Structure of ancestral PyrR protein (PLUMPyrR)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-07 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.92 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 75.960, 57.240, 54.000 |
Unit cell angles | 90.00, 127.47, 90.00 |
Refinement procedure
Resolution | 42.860 - 1.700 |
R-factor | 0.16669 |
Rwork | 0.164 |
R-free | 0.21240 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.940 |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 42.860 |
High resolution limit [Å] | 1.700 |
Number of reflections | 20089 |
<I/σ(I)> | 11.5 |
Completeness [%] | 99.0 |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 40% PEG-300, 0.1M Tris pH 7.0, 5% PEG-1000 |