8AR6

Structure of Delta 57-NCOA7 in space group P41212

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-18
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	P 41 21 2
Unit cell lengths	89.623, 89.623, 165.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.880 - 2.200
R-factor	0.1936
Rwork	0.191
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4acj
RMSD bond length	0.002
RMSD bond angle	0.500
Data reduction software	xia2
Data scaling software	Aimless (1.20.1_4487)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.880	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.077	0.704
Rpim	0.031	0.294
Number of reflections	34845	3402
<I/σ(I)>	18.72
Completeness [%]	99.1
Redundancy	6.7
CC(1/2)	0.997	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M di ammonium hydrogen citrate, 20% w/v PEG 3350