2ZR6

Crystal structure of a mutant PIN1 peptidyl-prolyl cis-trans isomerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2006-11-02
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 31 2 1
Unit cell lengths	67.980, 67.980, 79.434
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 3.200
R-factor	0.229
Rwork	0.229
R-free	0.31600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pin
RMSD bond length	0.007
RMSD bond angle	1.420
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.200
Number of reflections	3584
<I/σ(I)>	15.8
Completeness [%]	96.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	278	2.5M ammonium sulfate, 100mM HEPES-NA(pH7.5), 2% PEG400, 2mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 278K