6ZHL
Crystal Structure of Staphylococcus aureus RsgA bound to ppGpp.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-13 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.450, 66.929, 114.158 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.730 - 1.940 |
| R-factor | 0.2163 |
| Rwork | 0.214 |
| R-free | 0.26220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t9h |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.917 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 57.740 | 57.730 | 1.990 |
| High resolution limit [Å] | 1.940 | 8.680 | 1.940 |
| Rmerge | 0.158 | 0.045 | 0.950 |
| Rmeas | 0.165 | 0.048 | 0.990 |
| Rpim | 0.046 | 0.014 | 0.276 |
| Total number of observations | 4279 | 26796 | |
| Number of reflections | 29355 | 400 | 2115 |
| <I/σ(I)> | 11 | 34.8 | 2.5 |
| Completeness [%] | 99.9 | 99.9 | 99.5 |
| Redundancy | 12.8 | 10.7 | 12.7 |
| CC(1/2) | 0.998 | 0.998 | 0.802 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290.15 | 0.2 M Sodium Citrate, 0.1 M Bis-Tris Propane pH 6.5, 20% w/v PEG 3350 |
