7R2I

Human Cyclophilin D in complex with fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-06
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9660
Spacegroup name	P 41 21 2
Unit cell lengths	56.837, 56.837, 87.426
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.190 - 1.310
R-factor	0.1415
Rwork	0.140
R-free	0.17920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7r2h
RMSD bond length	0.007
RMSD bond angle	1.016
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.190	1.360
High resolution limit [Å]	1.310	1.310
Number of reflections	34782	3351
<I/σ(I)>	10.62
Completeness [%]	99.6
Redundancy	6.8
CC(1/2)	0.998	0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277.15	15 % PEG 3350, 0.1M K2HPO4