3KBY
Crystal structure of hypothetical protein from Staphylococcus aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-BM |
Synchrotron site | APS |
Beamline | 17-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-07 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97930 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.640, 69.230, 59.951 |
Unit cell angles | 90.00, 105.29, 90.00 |
Refinement procedure
Resolution | 21.140 - 1.800 |
R-factor | 0.177 |
Rwork | 0.176 |
R-free | 0.20100 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.151 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | REFMAC (refmac_5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.840 |
High resolution limit [Å] | 1.800 | 4.440 | 1.800 |
Rmerge | 0.101 | 0.071 | 0.457 |
Number of reflections | 28441 | ||
<I/σ(I)> | 8 | ||
Completeness [%] | 97.8 | 98.5 | 93.3 |
Redundancy | 7.4 | 7.2 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 298 | 20% PEG8000, 0.2M magnesium chloride, 0.11M ammonium sulfate, 0.1M TRIS pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K |