6B67

Human PP2Calpha (PPM1A) complexed with cyclic peptide c(MpSIpYVA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	95
Detector technology	CCD
Collection date	2016-07-06
Detector	RIGAKU SATURN A200
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	159.030, 89.570, 70.050
Unit cell angles	90.00, 113.86, 90.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.169
Rwork	0.169
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a6q
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.260
High resolution limit [Å]	2.200	2.200
Number of reflections	43867
<I/σ(I)>	25.09	4.63
Completeness [%]	95.7
Redundancy	2.87

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	293	Protein conc: 20 mg/ml Protein buffer: 10 mM MES, pH 7.0, 150 mM NaCl, 2 mM TCEP and 2 mM MgCl2 Protein and cyclic peptide was dialyzed against above buffer and mixed at the 1:2 molar ratio Precipitant: 0.1M HEPES (pH 7.3), 0.1M calcium acetate and 40% PEG400