8BTX

Structure of human Archease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-03
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9737
Spacegroup name	P 42 2 2
Unit cell lengths	79.981, 79.981, 65.164
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.990 - 1.840
R-factor	0.195
Rwork	0.194
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yz1
RMSD bond length	0.007
RMSD bond angle	0.841
Data reduction software	XDS (20210205)
Data scaling software	Aimless (1.12.10)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.980	1.880
High resolution limit [Å]	1.840	1.840
Rmerge	0.068
Rpim	0.013	0.743
Number of reflections	18949	1137
<I/σ(I)>	23.7
Completeness [%]	100.0	100
Redundancy	27.5	25.1
CC(1/2)	0.999	0.471

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	protein: 1966 uM in 25 mM HEPES pH 7.5, 100mM NaCl, 5 % glycerol, 1mM TCEP reservoir: 0.2 M ammonium chloride, 20% w/v PEG 3350 drop composition: 200 nl reservoir + 200 nl protein