7ZF6

Omi-12 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-07
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	C 2 2 21
Unit cell lengths	64.996, 209.624, 86.137
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.550 - 2.210
R-factor	0.2369
Rwork	0.235
R-free	0.26530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ps5
RMSD bond length	0.002
RMSD bond angle	0.505
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.000	2.230
High resolution limit [Å]	2.200	2.200
Rmerge	0.316
Rpim	0.063
Number of reflections	29897	1154
<I/σ(I)>	4.5	0.2
Completeness [%]	98.1
Redundancy	25.3
CC(1/2)	0.994	0.453

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.4 M (NH4)2SO4, 0.1 M citric acid pH 5.0