7ZDN

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	2018-09-02
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.968
Spacegroup name	C 2 2 21
Unit cell lengths	81.412, 81.877, 113.395
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.310 - 1.550
R-factor	0.1918
Rwork	0.190
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7r2h
RMSD bond length	0.008
RMSD bond angle	0.929
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.310	1.605
High resolution limit [Å]	1.549	1.549
Number of reflections	54498	5020
<I/σ(I)>	8.14
Completeness [%]	98.3
Redundancy	4.4
CC(1/2)	0.989	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	18 - 23 % PEG3350, 0.1 M TRIS-HCL