8KB0

Crystal structure of 01JD-AEAIIVAMV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	85.706, 89.237, 117.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 2.480
R-factor	0.208
Rwork	0.203
R-free	0.27540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.031
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.140	2.610
High resolution limit [Å]	2.480	2.480
Rmerge	0.132	1.159
Rmeas	0.138	1.204
Rpim	0.038	0.324
Total number of observations	398097	64311
Number of reflections	30537	4712
<I/σ(I)>	14.6	2.5
Completeness [%]	92.7
Redundancy	13	13.6
CC(1/2)	0.999	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		277.15	0.2M Ammonium acetate 0.1M HEPES pH 7.5 25% w/v PEG 3350