4LUA
Crystal structure of N-acetyltransferase from Staphylococcus aureus Mu50
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 84.939, 84.939, 49.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.860 - 1.600 |
R-factor | 0.1798 |
Rwork | 0.178 |
R-free | 0.20810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3g8w |
RMSD bond length | 0.019 |
RMSD bond angle | 1.754 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CCP4 |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.310 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.069 | |
Number of reflections | 24239 | |
<I/σ(I)> | 13.8 | 5.2 |
Completeness [%] | 99.8 | 96.5 |
Redundancy | 13.8 | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 296 | 2.25M sodium formate,100mM sodium acetate trihydrate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K |