2EWS
Crystal structure of S.aureus pantothenate kinase
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 |
Collection date | 2005-08-09 |
Detector | SBC-3 |
Wavelength(s) | 0.9 |
Spacegroup name | P 63 |
Unit cell lengths | 104.044, 104.044, 85.718 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.050 |
R-factor | 0.21926 |
Rwork | 0.216 |
R-free | 0.28914 |
Structure solution method | MAD |
RMSD bond length | 0.028 |
RMSD bond angle | 2.458 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.031 | 0.374 |
Number of reflections | 33134 | |
<I/σ(I)> | 59.8 | 7.1 |
Completeness [%] | 99.8 | 100 |
Redundancy | 10.4 | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | PEG 2K MME 28%, 0.1M Bis-Tris 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | PEG 2K MME 28%, 0.1M Bis-Tris 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | PEG 2K MME 28%, 0.1M Bis-Tris 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |