6AD3
Structural characterization of the condensation domain from Monacolin K polyketide synthase MokA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-16 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 51.101, 64.042, 173.196 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.790 |
R-factor | 0.1777 |
Rwork | 0.176 |
R-free | 0.20620 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.203 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.820 |
High resolution limit [Å] | 1.790 | 4.860 | 1.790 |
Rmerge | 0.076 | 0.047 | 0.422 |
Rmeas | 0.082 | 0.052 | 0.458 |
Rpim | 0.032 | 0.021 | 0.176 |
Total number of observations | 356651 | ||
Number of reflections | 54424 | 2971 | 2727 |
<I/σ(I)> | 4.5 | ||
Completeness [%] | 99.9 | 99.8 | 100 |
Redundancy | 6.6 | 6.2 | 6.6 |
CC(1/2) | 0.998 | 0.919 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | PEG 3350, potassium acetate |