6X3C
Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F1037 (47)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 92 |
Detector technology | PIXEL |
Collection date | 2019-08-30 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.11583 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 105.540, 105.620, 178.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 89.138 - 3.050 |
Rwork | 0.234 |
R-free | 0.26620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hur |
RMSD bond length | 0.009 |
RMSD bond angle | 1.102 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHENIX (1.17.1_3660) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.138 | 3.159 |
High resolution limit [Å] | 3.050 | 3.050 |
Rmeas | 0.377 | |
Number of reflections | 38654 | 3766 |
<I/σ(I)> | 6.67 | |
Completeness [%] | 99.9 | 99.92 |
Redundancy | 13.2 | 12.8 |
CC(1/2) | 0.989 | 0.575 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M (NH4)2SO4, 0.1 M phosphate-citrate pH 4.2, 20 %v/v PEG 300; 10 % glycerol |