4G4K
Structure of the Staphylococcus aureus AgrA LytTR Domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-06-18 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.414, 45.894, 112.138 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.716 - 1.520 |
R-factor | 0.1813 |
Rwork | 0.180 |
R-free | 0.20860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bs1 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.048 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1066) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 1.550 |
High resolution limit [Å] | 1.520 | 4.120 | 1.520 |
Number of reflections | 32840 | ||
<I/σ(I)> | 16.6 | 52 | 2 |
Completeness [%] | 97.2 | 97.4 | 89.8 |
Redundancy | 3.3 | 3.3 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 100 mM Tris, 150 mM LiSO4, 11% (w/v) PEG 4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |