8H3T

The crystal structure of AlpH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-04-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	68.209, 94.812, 110.108
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.406 - 1.866
R-factor	0.1642
Rwork	0.162
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MoRDA
Data reduction software	autoPROC
Data scaling software	autoPROC
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.850	1.970
High resolution limit [Å]	1.866	1.870
Rmerge	0.110	0.957
Number of reflections	59235	5551
<I/σ(I)>	17.6
Completeness [%]	98.6
Redundancy	12.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	289	0.03 M citric acid, 0.07 M BIS-TRIS propane (pH 7.6), 20% (w/v) PEG3350