3DJC
CRYSTAL STRUCTURE OF PANTOTHENATE KINASE FROM LEGIONELLA PNEUMOPHILA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2007-03-15 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 95.394, 134.571, 134.404 |
| Unit cell angles | 90.00, 93.24, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.261 |
| Rwork | 0.259 |
| R-free | 0.31300 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.245 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.125 | 0.833 |
| Number of reflections | 140651 | |
| <I/σ(I)> | 3 | 0.4 |
| Completeness [%] | 97.5 | 94.9 |
| Redundancy | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 100MM MES PH 6.5, 28% PEG MME 5K, 250MM AMMONIUM PHOSPHATE, VAPOR DIFFUSION, TEMPERATURE 294K, pH 8.50 |
