8SBX
Crystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (Apo, hexagonal form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 19-ID |
Synchrotron site | NSLS-II |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-14 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 125.845, 125.845, 105.450 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.150 - 2.100 |
R-factor | 0.1941 |
Rwork | 0.192 |
R-free | 0.24520 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.027 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.21rc1_4918: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 108.980 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.075 | 2.395 |
Rmeas | 0.076 | 2.423 |
Rpim | 0.012 | 0.368 |
Total number of observations | 1168865 | 90066 |
Number of reflections | 29313 | 2116 |
<I/σ(I)> | 29.3 | 1.9 |
Completeness [%] | 100.0 | |
Redundancy | 39.9 | 42.6 |
CC(1/2) | 1.000 | 0.873 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 2.0 M Ammonium Sulfate, 0.1 M Hepes pH 7.0. KlaeA.01365.a.B1.PW39175 at 21.8 mg/mL. Plate: liu-S-077 well G9, Puck: PSL-0611, Cryo: 2.5 M lithium sulfate |