8WCT

The crystal structure of the CHASE4 domain of iron-sensetive membrane protein (IsmP,Uniprot ID:Q9I243)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979150
Spacegroup name	P 2 21 21
Unit cell lengths	64.431, 75.205, 104.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.790 - 1.900
R-factor	0.2271
Rwork	0.225
R-free	0.26340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.943
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_4788)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	5.670	2.020
High resolution limit [Å]	1.900	4.020	1.900
Rmerge	0.119	0.064	0.554
Rmeas	0.125	0.067	0.580
Number of reflections	40453	2837	6475
<I/σ(I)>	13.84
Completeness [%]	99.9
Redundancy	11.4
CC(1/2)	0.998	0.998	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M sodium acetate lithium, 20% PEG3350, 0.1 M Bis-Tris propane, pH 7.9