7A73

Crystal structure of the two-domain cyclophilinA from Anabaena sp.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	41.120, 103.060, 44.170
Unit cell angles	90.00, 114.74, 90.00

Refinement procedure

Resolution	37.380 - 1.140
R-factor	0.1801
Rwork	0.179
R-free	0.19810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rfy
RMSD bond length	0.007
RMSD bond angle	1.104
Data reduction software	DIALS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.380	1.180
High resolution limit [Å]	1.140	1.140
Rmerge	0.200	1.800
Rmeas	0.200	1.000
Rpim	0.040	1.000
Number of reflections	115078	11028
<I/σ(I)>	8.1	0.4
Completeness [%]	95.0	91.14
Redundancy	19.8
CC(1/2)	0.993	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200mM ammonium citrate 20% PEG 3350 10% Morpheus additive screen