7KOU
1.83 Angstroms Resolution Crystal Structure of Putative Pterin Binding Protein PruR (Atu3496) from Agrobacterium fabrum str. C58
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-06-19 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 120.928, 62.022, 101.916 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.800 - 1.830 |
R-factor | 0.1635 |
Rwork | 0.162 |
R-free | 0.19330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7kom |
RMSD bond length | 0.006 |
RMSD bond angle | 1.364 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.860 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.084 | 0.773 |
Rmeas | 0.093 | 0.857 |
Rpim | 0.040 | 0.367 |
Number of reflections | 68046 | 3378 |
<I/σ(I)> | 19.4 | 2.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.4 | 5.4 |
CC(1/2) | 0.999 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | Protein: 12.5 mg/ml, 0.5M Sodium chloride, 0.01M Tris pH 8.3. Screen: JCSG+ (F8), 2.1M DL-Malic acid pH 7.0; Cryo: 25% PEG 400, 1.5M DL-Malic acid pH 7.0 |