7AGI

The structure of Artemis variant H35D

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	2020-05-17
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976
Spacegroup name	P 1
Unit cell lengths	35.968, 48.046, 48.445
Unit cell angles	82.43, 76.01, 87.34

Refinement procedure

Resolution	47.620 - 1.700
R-factor	0.1908
Rwork	0.190
R-free	0.21020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6tt5
RMSD bond length	0.007
RMSD bond angle	1.315
Data reduction software	DIALS
Data scaling software	Aimless (0.5.28)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.620	47.620	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.058	0.037	0.279
Total number of observations	122618	839	6463
Number of reflections	33409	229	1719
<I/σ(I)>	13.4	30.4	4.6
Completeness [%]	97.4	99.1	95.4
Redundancy	3.7	3.7	3.8
CC(1/2)	0.997	0.994	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277.15	0.1M Sodium Citrate pH 5.5, 20% PEG 3350