6L6I

hASIC1a co-crystallized with Mamb-1

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	2018-12-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	80.920, 146.620, 207.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.581 - 3.240
R-factor	0.216
Rwork	0.214
R-free	0.24990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s3w
RMSD bond length	0.007
RMSD bond angle	1.559
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.581	49.530	3.370
High resolution limit [Å]	3.240	11.680	3.240
Rmerge	0.166	0.040	1.476
Rmeas	0.181	0.045	0.016
Rpim	0.070	0.019	0.623
Number of reflections	40093	901	4463
<I/σ(I)>	9.7
Completeness [%]	99.8	93	100
Redundancy	6.5	5.4	6.5
CC(1/2)	0.997	0.998	0.489

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M magnesium formate dehydrate, 14% PEG3350