1HSK
CRYSTAL STRUCTURE OF S. AUREUS MURB
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-06-12 |
| Detector | SIEMENS |
| Wavelength(s) | 1.0332, 0.97939, 0.97928 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 178.990, 178.990, 178.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.300 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.22300 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | MLPHARE |
| Refinement software | X-PLOR (98.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.075 | 0.297 |
| Total number of observations | 252156 * | |
| Number of reflections | 39984 | |
| <I/σ(I)> | 14.8 | |
| Completeness [%] | 94.4 | 51.8 |
| Redundancy | 6.3 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 * | 293 | PEG 8000, cacodylic acid, ammonium sulfate, DMSO, 2-mercaptoethanol with EP-UDPGlcNAc , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES | 20 (mM) | |
| 2 | 1 | drop | 2-mercaptoethanol | 5 (mM) | |
| 3 | 1 | drop | protein | 20 (mg/ml) | |
| 4 | 1 | reservoir | PEG8000 | 9.75 (%) | |
| 5 | 1 | reservoir | cacodylic acid | 0.1 (M) | |
| 6 | 1 | reservoir | ammonium sulfate | 0.55 (M) | |
| 7 | 1 | reservoir | DMSO | 20 (%) | |
| 8 | 1 | reservoir | 2-mercaptoethanol | 5 (mM) | |
| 9 | 1 | reservoir | EP-UD-PGlcNAc substrate | 1 (mM) |
