4RY2

Crystal structure of the peptidase-containing ABC transporter PCAT1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97924
Spacegroup name	P 21 21 21
Unit cell lengths	87.590, 89.730, 296.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.966 - 3.611
R-factor	0.267
Rwork	0.266
R-free	0.28940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qf4
RMSD bond length	0.004
RMSD bond angle	0.790
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	3.740
High resolution limit [Å]	3.610	7.770	3.610
Number of reflections	20843
Completeness [%]	94.0	98.3	90.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	293	19-22% PEG400, 100 mM sodium citrate, pH 5.2-5.4, and 1.4 mM N,N-bis-(3-D-Gluconamidopropyl). , VAPOR DIFFUSION, SITTING DROP, temperature 293K