5ESC
Crystal structure of Group A Streptococcus HupZ
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 1 |
| Unit cell lengths | 41.823, 61.181, 61.347 |
| Unit cell angles | 78.59, 86.76, 80.07 |
Refinement procedure
| Resolution | 46.880 - 2.000 |
| R-factor | 0.17078 |
| Rwork | 0.167 |
| R-free | 0.20803 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2htd |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.050 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.099 | 0.377 |
| Number of reflections | 39089 | |
| <I/σ(I)> | 13.6 | 7.69 |
| Completeness [%] | 98.2 | 97.7 |
| Redundancy | 3.6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG 3350, 0.2M Lithium Acetate |
