3TCE
Crystal structure of the complex of Dihydrodipicolinate synthase from Acinetobacter baumannii with 5-Hydroxylysine at 2.6 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2011-07-16 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.602, 121.721, 50.125 |
Unit cell angles | 90.00, 114.39, 90.00 |
Refinement procedure
Resolution | 47.910 - 2.600 |
R-factor | 0.233 |
Rwork | 0.233 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rk8 |
RMSD bond length | 0.010 |
RMSD bond angle | 2.000 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.000 | 2.650 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 17581 | |
<I/σ(I)> | 11.2 | 2.1 |
Completeness [%] | 100.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1M MgCl2, PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |