2ZQV

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	2006-06-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 31 2 1
Unit cell lengths	68.309, 68.309, 79.359
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.429 - 2.498
R-factor	0.222
Rwork	0.218
R-free	0.30300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pin
RMSD bond length	0.009
RMSD bond angle	1.356
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.498
Number of reflections	7431
<I/σ(I)>	22.8
Completeness [%]	95.6

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