6LEB
Staphylococcus aureus surface protein SdrC mutant-P366H
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9778 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.734, 87.130, 63.974 |
| Unit cell angles | 90.00, 97.99, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.540 |
| R-factor | 0.1285 |
| Rwork | 0.126 |
| R-free | 0.17740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3irp |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.255 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.520 |
| High resolution limit [Å] | 1.490 | 4.040 | 1.490 |
| Rmerge | 0.096 | 0.550 | |
| Rmeas | 0.571 | ||
| Rpim | 0.152 | 0.604 | |
| Number of reflections | 100843 | 3088 | 2773 |
| <I/σ(I)> | 3.1 | ||
| Completeness [%] | 99.8 | 100 | 96.7 |
| Redundancy | 12.4 | 13.1 | 7.4 |
| CC(1/2) | 0.933 | 0.154 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.08 M Magnesium formate dihydrate, 25% w/v Polyethylene glycol 3,350 |
