5Y4M

Discoidin domain of human CASPR2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	36.250, 59.680, 62.599
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.195 - 1.310
R-factor	0.1379
Rwork	0.137
R-free	0.16580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.858
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.330
High resolution limit [Å]	1.310	1.310
Rmerge	0.078	0.538
Rmeas	0.083	0.586
Rpim	0.028	0.227
Number of reflections	33381	1598
<I/σ(I)>	35.36	2.75
Completeness [%]	99.6	97.3
Redundancy	8.5	6.1
CC(1/2)		0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	296	20% PEG8000,100 mM Na2HPO4/KH2PO4, pH 6.2, 200 mM NaCl