1NG5
2.0 A crystal structure of Staphylococcus aureus Sortase B
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-11-19 |
Detector | SBC-2 |
Wavelength(s) | 0.9795,0.9798,0.94656 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 71.158, 104.383, 58.158 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 * - 2.000 |
R-factor | 0.237 |
Rwork | 0.237 |
R-free | 0.24800 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 23.700 * |
Data reduction software | d*TREK |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 |
High resolution limit [Å] | 2.000 * | 1.970 |
Rmerge | 0.110 | 0.537 |
Number of reflections | 29674 | |
<I/σ(I)> | 13 | 1.63 |
Completeness [%] | 94.4 | 79.5 |
Redundancy | 6 | 4.81 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | 2.5M Na2SO4, 0.1M triNa citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | sodium sulfate | 2.4 (M) | |
2 | 1 | reservoir | sodium citrate | 100 (mM) | pH5.6 |
3 | 1 | drop | protein | 2 (mM) | |
4 | 1 | drop | Tris-HCl | 10 (mM) | pH7.5 |
5 | 1 | drop | 20 (mM) | ||
6 | 1 | drop | dithiothreitol | 1 (mM) |