5OCE
THE MOLECULAR MECHANISM OF SUBSTRATE RECOGNITION AND CATALYSIS OF THE MEMBRANE ACYLTRANSFERASE PatA -- Complex of PatA with palmitate, mannose, and palmitoyl-6-mannose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-21 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.690, 83.860, 98.430 |
Unit cell angles | 90.00, 110.98, 90.00 |
Refinement procedure
Resolution | 28.770 - 2.410 |
R-factor | 0.1887 |
Rwork | 0.182 |
R-free | 0.21270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5f2t |
RMSD bond length | 0.002 |
RMSD bond angle | 0.561 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2219)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.770 | 2.500 |
High resolution limit [Å] | 2.410 | 2.410 |
Rmerge | 0.113 | 0.494 |
Number of reflections | 40218 | 3754 |
<I/σ(I)> | 12.76 | |
Completeness [%] | 97.2 | 90.55 |
Redundancy | 3.3 | 3.3 |
CC(1/2) | 0.989 | 0.773 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | The crystal of PatA was obtained by mixing 0.25ul of the protein (5 mg ml-1) in 5 mM D-(+)-mannose and 20 mM Tris-HCl buffer pH 7.5 with 0.25ul of a mother liquor containing, 100 mM Tris-HCl pH 7.0, 225 mM MgCl2 and 16% (w/v) PEG 8,000. |