1VBT

Structure of cyclophilin complexed with sulfur-substituted tetrapeptide AAPF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	174
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 21 21
Unit cell lengths	37.700, 109.100, 118.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.300
R-factor	0.198
Rwork	0.198
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	UNLIGATED CYCLOPHILIN A
RMSD bond length	0.009
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.082
Number of reflections	16964
Completeness [%]	80.0	46
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.2		pH 8.2