2ZQS

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	2006-11-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 43 21 2
Unit cell lengths	48.758, 48.758, 137.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.840 - 1.902
R-factor	0.2377
Rwork	0.238
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pin
RMSD bond length	0.005
RMSD bond angle	0.848
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.902
Number of reflections	13863
<I/σ(I)>	8.4
Completeness [%]	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	278	pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K