5B3Y

Crystal structure of hPin1 WW domain (5-23) fused with maltose-binding protein

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 21 21 21
Unit cell lengths	48.296, 57.637, 124.056
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.599 - 1.901
R-factor	0.1664
Rwork	0.165
R-free	0.18920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1anf
RMSD bond length	0.004
RMSD bond angle	0.798
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	1.930
High resolution limit [Å]	1.900	1.900
Number of reflections	27905
<I/σ(I)>	20.8	6
Completeness [%]	99.4	98.1
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.6M Ammonium citrate