5B3X

Crystal structure of hPin1 WW domain (5-15) fused with maltose-binding protein in P41212 form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-19
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	115.571, 115.571, 55.958
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.861 - 2.400
R-factor	0.2127
Rwork	0.210
R-free	0.26040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1anf
RMSD bond length	0.004
RMSD bond angle	0.834
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Number of reflections	15390
<I/σ(I)>	29.7	7.4
Completeness [%]	100.0	100
Redundancy	13.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.2 M DL-malic acid