8JUK
Crystal structure of Adenosine triphosphate phosphoribosyltransferase from Acinetobacter baumannii at 2.18 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-01 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.8731 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.476, 79.203, 97.777 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.769 - 2.181 |
Rwork | 0.184 |
R-free | 0.24660 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.251 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 97.780 | 2.250 |
High resolution limit [Å] | 2.180 | 2.180 |
Number of reflections | 29519 | 2500 |
<I/σ(I)> | 14 | 1.2 |
Completeness [%] | 99.6 | 98.8 |
Redundancy | 6.7 | |
CC(1/2) | 0.999 | 0.740 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | Sodium acetate trihydrate; Sodium acetate |