8EVW
DdlA from Pseudomonas aeruginosa PAO1 in complex with ATP and D-ala-D-ala
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.273, 123.615, 53.582 |
Unit cell angles | 90.00, 109.12, 90.00 |
Refinement procedure
Resolution | 39.160 - 1.220 |
R-factor | 0.1614 |
Rwork | 0.160 |
R-free | 0.18050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8evv |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.18.2-3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.160 | 39.160 | 1.240 |
High resolution limit [Å] | 1.220 | 6.680 | 1.220 |
Rmerge | 0.045 | 0.030 | 0.377 |
Rmeas | 0.048 | 0.033 | 0.411 |
Rpim | 0.018 | 0.012 | 0.161 |
Total number of observations | 1148877 | 7618 | 51061 |
Number of reflections | 169550 | 1072 | 8233 |
<I/σ(I)> | 21.8 | 56.8 | 3.8 |
Completeness [%] | 98.7 | 99.4 | 97 |
Redundancy | 6.8 | 7.1 | 6.2 |
CC(1/2) | 0.999 | 0.999 | 0.908 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.05M citric acid pH 5.0, 16% PEG3350 |