3O7T

Crystal Structure of Cyclophilin A from Moniliophthora perniciosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.43
Spacegroup name	I 2 2 2
Unit cell lengths	37.854, 98.206, 111.682
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.874 - 1.850
R-factor	0.1675
Rwork	0.166
R-free	0.20590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.254
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	PHENIX (1.6_289)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.749	49.088	1.950
High resolution limit [Å]	1.850	5.850	1.850
Rmerge	0.145	0.054	0.568
Total number of observations		2511	10687
Number of reflections	18133
<I/σ(I)>	9.7	11.1	1.3
Completeness [%]	99.5	99.5	98.9
Redundancy	4.2	3.9	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	291	30% PEG 400, 100mM Caps pH 10.5., VAPOR DIFFUSION, HANGING DROP, temperature 291K