3NZ2
Crystal Structure of Hexapeptide-Repeat containing-Acetyltransferase VCA0836 Complexed with Acetyl Co Enzyme A from Vibrio cholerae O1 biovar eltor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.316, 135.801, 120.535 |
Unit cell angles | 90.00, 91.77, 90.00 |
Refinement procedure
Resolution | 46.632 - 2.350 |
R-factor | 0.1912 |
Rwork | 0.188 |
R-free | 0.25340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDBID 3ECT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.443 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((phenix.refine: 1.6.2_432)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.390 |
High resolution limit [Å] | 2.350 | 2.350 |
Number of reflections | 100668 | |
<I/σ(I)> | 4.6 | 2.2 |
Completeness [%] | 97.7 | 99.2 |
Redundancy | 29.8 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 0.1 M Acetate pH 4.5, 20% (v/v) 1,4-butanediol, VAPOR DIFFUSION, SITTING DROP, temperature 298K |