2X2A

Free acetyl-CypA trigonal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	287
Detector technology	IMAGE PLATE
Spacegroup name	P 32 2 1
Unit cell lengths	64.300, 64.300, 173.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	57.950 - 1.400
R-factor	0.12511
Rwork	0.123
R-free	0.16123
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.027
RMSD bond angle	2.104
Refinement software	REFMAC (5)

Data quality characteristics

	Overall
Low resolution limit [Å]	27.800
High resolution limit [Å]	1.400
Rmerge	0.100
Number of reflections	83025
<I/σ(I)>	10.2
Completeness [%]	92.0
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1