4AE5
STRUCTURE OF A MAJOR REGULATOR OF STAPHYLOCOCCAL PATHOGENESIS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-05-01 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.076, 70.868, 79.082 |
| Unit cell angles | 90.00, 111.53, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.850 |
| R-factor | 0.21358 |
| Rwork | 0.211 |
| R-free | 0.25957 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.851 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.500 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.040 | 0.230 |
| Number of reflections | 60732 | |
| <I/σ(I)> | 21.9 | |
| Completeness [%] | 92.1 | 79.5 |
| Redundancy | 3.5 | 3.09 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.66 | 291 | HANGING DROP, 18 DEGREES CELCIUS, 18% PEG 4K, 0.050 M NACIT PH 5.66, 1% PEG 500 MME, PROTEIN IN DROP 4.4MG/ML DROP 1:1, CRYOPROTECTANT USED: 20% PEG 4K, 0.050 M NA CITRATE PH 5.66, 1% PEG 500 MME, 35% PEG 400 |
