5GWP

Crystal structure of RCAR3:PP2C wild-type 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	2015-10-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	74.981, 133.684, 191.279
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.136 - 2.577
R-factor	0.2087
Rwork	0.206
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rt0
RMSD bond length	0.002
RMSD bond angle	0.519
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]	46.144	2.670
High resolution limit [Å]	2.577	2.577
Rmerge	0.114
Number of reflections	30728
<I/σ(I)>	22.02
Completeness [%]	96.0
Redundancy	11
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	PEG 8000, MES pH 6.0, calcium acetate