3WDM
Crystal structure of 4-phosphopantoate-beta-alanine ligase from Thermococcus kodakarensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-06-26 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 79.802, 80.814, 84.225 |
Unit cell angles | 90.00, 110.07, 90.00 |
Refinement procedure
Resolution | 35.990 - 2.000 |
R-factor | 0.218 |
Rwork | 0.218 |
R-free | 0.26900 |
Structure solution method | MIR |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 66956 | |
Completeness [%] | 97.2 | 95.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | 18-20% PEG 3350, 200mM ammonium acetate, 100mM Bis-Tris, pH 6.5, VAPOR DIFFUSION, temperature 293K |