7EPU

Crystal structure of HsALC1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	277
Detector technology	PIXEL
Collection date	2019-10-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97
Spacegroup name	C 2 2 21
Unit cell lengths	153.480, 225.263, 106.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.402 - 3.500
R-factor	0.2715
Rwork	0.268
R-free	0.31570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mwy 5jxr 2fg1 5yan
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.560
High resolution limit [Å]	3.500	9.480	3.500
Rmerge	0.130	0.034	1.497
Rmeas	0.137	0.036	1.583
Rpim	0.042	0.012	0.500
Total number of observations	255064
Number of reflections	23523	1282	1149
<I/σ(I)>	5.5
Completeness [%]	99.4	99.5	97.5
Redundancy	10.8	9.4	9.9
CC(1/2)		0.999	0.514

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	MPD, sodium chloride, magnesium chloride, acetate