7N54

Complex structure of GLAU4 with glaucine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	P 1
Unit cell lengths	43.180, 54.198, 91.522
Unit cell angles	104.90, 98.00, 89.99

Refinement procedure

Resolution	43.760 - 2.000
R-factor	0.2003
Rwork	0.199
R-free	0.23230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vw0
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.18rc3_3805)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.061	0.044	0.320
Rmeas	0.083	0.060	0.440
Rpim	0.056	0.041	0.300
Total number of observations	90722
Number of reflections	50154	2582	2270
<I/σ(I)>	6.7
Completeness [%]	94.3	97.4	84.2
Redundancy	1.8	1.9	1.5
CC(1/2)		0.993	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	20% PEG3350, 0.2 M ammonium sulfate, 0.1 M sodium chloride, 0.1 M MES