7N56
Crystal Structure of deoxyuridine 5'-triphosphate nucleotidohydrolase from Rickettsia prowazekii str. Madrid E
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 | 2021-04-08 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 100.370, 97.390, 100.540 |
Unit cell angles | 90.00, 118.60, 90.00 |
Refinement procedure
Resolution | 48.690 - 2.150 |
R-factor | 0.1595 |
Rwork | 0.159 |
R-free | 0.20060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mdx as per MoRDa |
RMSD bond length | 0.007 |
RMSD bond angle | 0.847 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX (1.18 4224) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.210 |
High resolution limit [Å] | 2.150 | 9.620 | 2.150 |
Rmerge | 0.045 | 0.026 | 0.215 |
Rmeas | 0.053 | 0.030 | 0.270 |
Number of reflections | 91387 | 1044 | 6188 |
<I/σ(I)> | 18.57 | 41.43 | 4.31 |
Completeness [%] | 98.7 | 94.5 | 91.6 |
Redundancy | 3.629 | 3.441 | 2.607 |
CC(1/2) | 0.999 | 0.999 | 0.952 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 287 | RigakuReagents JCSG+ screen, condition H7: 25% (w/V) PEG 3350, 100mM BisTris / HCl pH 6.5, 200mM ammonium sulfate: RiprA.10050.a.A1.PW00480 at 48mg/ml: tray 320497 h7: cryo: 15% EG: puck: lrw3-2 |