6WN8
2.70 Angstrom Resolution Crystal Structure of Uracil Phosphoribosyl Transferase from Klebsiella pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-03-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 203.349, 203.349, 157.775 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.710 - 2.700 |
R-factor | 0.1903 |
Rwork | 0.189 |
R-free | 0.21870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ehj |
RMSD bond length | 0.002 |
RMSD bond angle | 1.167 |
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 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.090 | 0.790 |
Rmeas | 0.098 | 0.857 |
Rpim | 0.038 | 0.332 |
Number of reflections | 103165 | 5133 |
<I/σ(I)> | 20.3 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.6 | 6.7 |
CC(1/2) | 0.737 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 292 | Protein: 10.8 mg/ml, 0.5M Sodium chloride, 0.01M Tris pH 8.3; Screen (AmSO4, H2): 0.1M Sodium acetate pH 4.6, 2.0M Ammonium sulfate; Cryo: 25% Sucrose, 2.0M Ammonium sulfate |