2PVP
Crystal structure of D-Alanine-D-Alanine Ligase from Helicobacter pylori
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-05 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.969, 89.016, 121.883 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.400 |
Rwork | 0.229 |
R-free | 0.28310 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 122.169 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.061 | 0.491 |
Number of reflections | 30126 | |
<I/σ(I)> | 27.3 | 2.88 |
Redundancy | 5.9 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1 M HEPES, pH 7.5, 10% PEG6000, 5% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 277K |