2QER

Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660 in the presence of dipeptide ala-pro

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ DW
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-05-14
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	69.047, 69.047, 124.622
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.780 - 2.170
R-factor	0.22707
Rwork	0.226
R-free	0.25180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2poe
RMSD bond length	0.008
RMSD bond angle	1.077
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.250
High resolution limit [Å]	2.170	2.170
Rmerge	0.066	0.516
Number of reflections	16658
<I/σ(I)>	53.7	6.2
Completeness [%]	99.9	100
Redundancy	13.8	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	25% PEG 3350, 0.1 M Ammonium sulfate, 0.1 M Tris-HCl pH 8.5, 30 mM ala-pro, VAPOR DIFFUSION, HANGING DROP, temperature 293K