6MAI
Crystal structure of Deoxyuridine 5'-triphosphate nucleotidohydrolase from Legionella pneumophila Philadelphia 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-08-21 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 63 |
Unit cell lengths | 84.650, 84.650, 55.700 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.325 - 1.800 |
R-factor | 0.1562 |
Rwork | 0.154 |
R-free | 0.17680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1euw |
RMSD bond length | 0.008 |
RMSD bond angle | 0.893 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3211)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.325 | 42.325 | 1.850 |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.038 | 0.019 | 0.471 |
Rmeas | 0.040 | 0.020 | 0.525 |
Number of reflections | 20693 | 254 | 1404 |
<I/σ(I)> | 31.78 | 97.83 | 3.15 |
Completeness [%] | 97.7 | 97.7 | 90.4 |
Redundancy | 7.736 | 10.134 | 4.949 |
CC(1/2) | 1.000 | 0.999 | 0.871 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 285 | Microlytic MCSG1 screen, condition A1: 20% PEG 8000, 100mM HEPES/NaOH pH 7.5: LepnA.01206.a.B1.PS38438 at 24.33mg/ml: cryo: 20% EG in two steps: tray 301633a1, puck PXP9-8 |