5Z16
A novel dimeric isocitrate dehydrogenase from Acinetobacter baumannii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2015-11-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 42 2 2 |
Unit cell lengths | 137.161, 137.161, 238.132 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.537 - 3.000 |
R-factor | 0.2082 |
Rwork | 0.205 |
R-free | 0.27580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mbc |
RMSD bond length | 0.011 |
RMSD bond angle | 1.608 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 8.130 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.132 | 0.402 |
Number of reflections | 46423 | 2297 |
<I/σ(I)> | 3.2 | |
Completeness [%] | 99.4 | |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 0.1M HEPES, 10% PEG 4000, 14% 2-propanol, 40mM MgCl2, 20% glycerol |