6GMP

CRYSTAL STRUCTURE OF THE PPIASE DOMAIN OF TBPAR42

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-01-17
Detector	PSI PILATUS 6M
Wavelength(s)	0.970919
Spacegroup name	C 2 2 21
Unit cell lengths	28.640, 69.960, 102.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.460 - 1.350
R-factor	0.168
Rwork	0.166
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PIN1
RMSD bond length	0.006
RMSD bond angle	1.135
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.500	1.390
High resolution limit [Å]	1.350	1.350
Rmerge	0.021	0.417
Number of reflections	22021
<I/σ(I)>	32.73	1.68
Completeness [%]	94.8	67.5
Redundancy	5.37

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	293.15	23 % PEG 4000, 100 MM NAACETATE