3BEX
Type III pantothenate kinase from Thermotoga maritima complexed with pantothenate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.917, 136.991, 74.970 |
| Unit cell angles | 90.00, 109.62, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.510 |
| R-factor | 0.18589 |
| Rwork | 0.184 |
| R-free | 0.21345 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gtd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.373 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.510 |
| Number of reflections | 209057 |
| <I/σ(I)> | 11.3 |
| Completeness [%] | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 16% PEG 2250, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
