4KNK
Crystal structure of Staphylococcus aureus hydrolase AmiA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-12-09 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.00000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 96.800, 81.680, 68.690 |
Unit cell angles | 90.00, 128.84, 90.00 |
Refinement procedure
Resolution | 40.840 - 1.124 |
R-factor | 0.1218 |
Rwork | 0.121 |
R-free | 0.13890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lat |
RMSD bond length | 0.009 |
RMSD bond angle | 1.328 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.164 | 1.150 |
High resolution limit [Å] | 1.120 | 1.120 |
Number of reflections | 146370 | |
<I/σ(I)> | 21.1 | 1.8 |
Completeness [%] | 92.4 | 59.7 |
Redundancy | 6 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.1 M MES/imidazole, pH 6.5, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M sodium citrate, 0.02 M racemic sodium/potassium tartrate, 0.02 M sodium oxamate, 12.5% w/v PEG1000, 12.5% w/v PEG3350, 12.5% w/v MPD, VAPOR DIFFUSION, HANGING DROP, temperature 295K |