3L8M
Crystal Structure of a probable thiamine pyrophosphokinase from Staphylococcus saprophyticus subsp. saprophyticus. Northeast Structural Genomics Consortium target id SyR86
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-28 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 63 |
| Unit cell lengths | 101.873, 101.873, 88.024 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.350 - 2.400 |
| R-factor | 0.238 |
| Rwork | 0.238 |
| R-free | 0.27100 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.053 | 0.128 |
| Number of reflections | 79461 | |
| <I/σ(I)> | 15.3 | 15 |
| Completeness [%] | 98.9 | 98.9 |
| Redundancy | 2.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under oil method | 4.2 | 291 | RbCl, 100mM Sodium Citrate, pH 4.2, microbatch under oil method, temperature 291K |
