5B3Z

Crystal structure of hPin1 WW domain (5-39) fused with maltose-binding protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-25
Detector	RAYONIX MX300HE
Wavelength(s)	0.9000
Spacegroup name	P 1 21 1
Unit cell lengths	84.514, 120.433, 110.670
Unit cell angles	90.00, 97.79, 90.00

Refinement procedure

Resolution	49.014 - 2.300
R-factor	0.1834
Rwork	0.181
R-free	0.22410
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	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	92792
<I/σ(I)>	10.3	1.9
Completeness [%]	95.4	89.3
Redundancy	2.7

Crystallization Conditions

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