9CHY

Crystal structure of the human MESH1 (D66K)-PAPS complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	61.950, 71.700, 75.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.890 - 1.900
R-factor	0.1743
Rwork	0.172
R-free	0.22130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.650
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.890	1.968
High resolution limit [Å]	1.900	1.900
Number of reflections	27172	2655
<I/σ(I)>	14.98
Completeness [%]	99.4
Redundancy	7.1
CC(1/2)	0.998	0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	4.5 mg/ml protein, 12.5 mM pAps, 25 mM Tris, pH 8.0, 100 mM NaCl, 0.05% 2-mercaptoethanol, 75 mM ammonium acetate, 50 mM sodium citrate, and 12.5% PEG 4000