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 |