7KQ8

Structure of iron bound MEMO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 2
Unit cell lengths	139.643, 88.861, 97.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.680 - 2.150
R-factor	0.1604
Rwork	0.159
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bcz
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19rc3_4028)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.680	48.680	2.200
High resolution limit [Å]	2.150	9.610	2.150
Rmerge	0.132	0.049	0.513
Rmeas	0.143	0.053	0.558
Total number of observations	881674
Number of reflections	127620	1420	9391
<I/σ(I)>	13.6	30.77	4.24
Completeness [%]	99.9	99.2	99.3
Redundancy	6.909	6.956	6.499
CC(1/2)	0.997	0.998	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		301	0.1 M MES pH 5.5-7.0 22% PEG3350 crystallization under anaerobic conditions