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 |
