4S0F
Crystal structure of the peptidase-containing ABC transporter PCAT1 E648Q mutant complexed with ATPgS in an occluded conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-04-07 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.9794 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 230.000, 230.000, 89.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.983 - 5.515 |
R-factor | 0.3013 |
Rwork | 0.300 |
R-free | 0.31390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ry2 3vx4 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.688 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1839)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 5.700 |
High resolution limit [Å] | 5.500 | 11.800 | 5.500 |
Number of reflections | 8210 | ||
Completeness [%] | 99.2 | 98.6 | 99.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.4 | 293 | 7% PEG1500, 20mM CaCl2, 100 mM sodium citrate, pH 5.2-5.6, and 1.4 mM N,N-bis-(3-D-Gluconamidopropyl)., VAPOR DIFFUSION, SITTING DROP, temperature 293K |