3BF3
Type III pantothenate kinase from Thermotoga maritima complexed with product phosphopantothenate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.091, 137.256, 75.248 |
| Unit cell angles | 90.00, 110.44, 90.00 |
Refinement procedure
| Resolution | 25.820 - 1.630 |
| R-factor | 0.18605 |
| Rwork | 0.184 |
| R-free | 0.22733 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.427 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.630 |
| Number of reflections | 176024 |
| <I/σ(I)> | 18.9 |
| Completeness [%] | 99.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 16% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
