7U9J

Crystal structure of Mesothelin-207 fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	96.762, 78.611, 74.332
Unit cell angles	90.00, 108.15, 90.00

Refinement procedure

Resolution	33.990 - 2.090
R-factor	0.1728
Rwork	0.171
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f3f
RMSD bond length	0.003
RMSD bond angle	0.604
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.090	2.091
Rmerge	0.103	0.291
Number of reflections	27430	2180
<I/σ(I)>	5.571
Completeness [%]	87.9
Redundancy	2.4
CC(1/2)	0.981	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	0.1 M HEPES, pH 7.5, 100 mM potassium chloride, 12.5% PEG3350, 100 mM lithium sulfate