3PUL
Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter baumannii with lysine at 2.3A 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 | 2010-10-21 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97 |
Spacegroup name | H 3 |
Unit cell lengths | 168.813, 168.813, 62.678 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.580 - 2.300 |
R-factor | 0.201 |
Rwork | 0.201 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3noe |
RMSD bond length | 0.008 |
RMSD bond angle | 1.600 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.700 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 29562 | |
<I/σ(I)> | 15 | 2 |
Completeness [%] | 99.9 | 98.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.6 | 298 | 1.8M ammonium sulphate, 0.1M bis-tris, pH 5.6, VAPOR DIFFUSION, temperature 298K |