4RAG

CRYSTAL STRUCTURE of PPC2A-D38K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	77
Detector technology	DIFFRACTOMETER
Collection date	2014-03-30
Detector	SYNTEX
Wavelength(s)	0.98
Spacegroup name	P 31 2 1
Unit cell lengths	90.817, 90.817, 105.408
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.844 - 1.850
R-factor	0.2006
Rwork	0.199
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a6q
RMSD bond length	0.006
RMSD bond angle	1.103
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.6.2_432))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Number of reflections	43274
Completeness [%]	100.0	99.3	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277.15	15%(v/v) PEG8000, pH 5.5, 50mM K2HPO4, 2mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K