8F8O
Crystal Structure of the Succinyl-diaminopimelate Desuccinylase (DapE) from Acinetobacter baumannii in complex with Succinic and L-Lactic Acids
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-09 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.97864 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.659, 102.533, 145.491 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.860 - 2.100 |
R-factor | 0.19116 |
Rwork | 0.189 |
R-free | 0.22965 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.325 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.143 | |
Rmeas | 0.154 | |
Rpim | 0.056 | 0.419 |
Number of reflections | 59464 | 2947 |
<I/σ(I)> | 12.6 | 1.8 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 7.4 | 7.7 |
CC(1/2) | 0.994 | 0.492 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 292 | Protein: 8.0 mg/ml, 0.15M Sodium chloride, 0.01M Tris pH 8.3, 2mM N6-Me-L,L-SDAP; Screen: Peg's II (H1), 0.1M M tri-Sodium citrate, 33% (w/v) PEG6000. |