5GWO

Crystal structure of RCAR3:PP2C S265F/I267M with (+)-ABA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	46.472, 79.253, 80.288
Unit cell angles	81.63, 87.08, 73.98

Refinement procedure

Resolution	37.729 - 2.816
R-factor	0.1895
Rwork	0.185
R-free	0.24270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rt0
RMSD bond length	0.005
RMSD bond angle	0.937
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.729	2.917
High resolution limit [Å]	2.816	2.816
Rmerge	0.107
Number of reflections	25506
<I/σ(I)>	13.54
Completeness [%]	97.0
Redundancy	3.2
CC(1/2)	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	PEG 8000, MES pH 6.0, magnesium acetate, glycerol