3JUW
Putative GnaT-family acetyltransferase from Bordetella pertussis.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-19 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9792 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 120.211, 65.886, 64.375 |
Unit cell angles | 90.00, 102.49, 90.00 |
Refinement procedure
Resolution | 30.600 - 2.110 |
R-factor | 0.19 |
Rwork | 0.186 |
R-free | 0.24500 |
Structure solution method | SAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.681 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.600 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.164 | 0.831 |
Number of reflections | 28544 | |
<I/σ(I)> | 7.6 | 2.36 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 0.2 M ammonium sulfate, 0.1 M MES buffer, 30% PEG 5000 MME, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |