6CX8
Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae in complex with manganese ions.
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 | 2016-03-21 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 157.645, 135.267, 73.675 |
Unit cell angles | 90.00, 118.58, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.410 |
R-factor | 0.17346 |
Rwork | 0.171 |
R-free | 0.21319 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ncz |
RMSD bond length | 0.020 |
RMSD bond angle | 2.158 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.063 | 0.520 |
Number of reflections | 49284 | 2519 |
<I/σ(I)> | 26.7 | 2.4 |
Completeness [%] | 94.3 | 97.7 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M Trimethylamine N-oxide, 0.1 M Tris, 20% w/v PEG2000 MME |