7AFU

The structure of Artemis variant H33A

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)	0.9763
Spacegroup name	P 1
Unit cell lengths	35.966, 47.897, 48.373
Unit cell angles	82.51, 75.94, 87.73

Refinement procedure

Resolution	35.530 - 1.560
R-factor	0.1895
Rwork	0.188
R-free	0.21250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6tt5
RMSD bond length	0.007
RMSD bond angle	1.278
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]	35.530	35.530	1.590
High resolution limit [Å]	1.560	8.540	1.560
Rmerge	0.061	0.036	0.374
Total number of observations	149695	979	4515
Number of reflections	41612	262	1381
<I/σ(I)>	11.3	33.3	2.6
Completeness [%]	94.2	98.9	63.7
Redundancy	3.6	3.7	3.3
CC(1/2)	0.998	0.997	0.841

Crystallization Conditions

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