4MJ8
Crystal structure of spermidine N-acetyltransferase from Vibrio cholerae in complex with polyamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-02 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 74.999, 135.445, 141.188 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.770 - 2.040 |
R-factor | 0.17141 |
Rwork | 0.169 |
R-free | 0.21087 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3EG7 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.853 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.090 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.062 | 0.270 |
Number of reflections | 45842 | |
<I/σ(I)> | 49.3 | 9 |
Completeness [%] | 99.6 | 96.4 |
Redundancy | 7.3 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M Tris HCl, 20% Ethanol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |