7ALR

Crystal structure of TD1-gatorbulin1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 1 21 1
Unit cell lengths	73.462, 91.292, 82.970
Unit cell angles	90.00, 97.44, 90.00

Refinement procedure

Resolution	49.208 - 1.930
R-factor	0.1695
Rwork	0.168
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nm5
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.210	49.210	1.970
High resolution limit [Å]	1.930	10.030	1.930
Rmerge	0.064	0.035	0.494
Rmeas	0.072	0.039	0.551
Rpim	0.032	0.018	0.244
Total number of observations	397791	2903	21749
Number of reflections	81042	613	4364
<I/σ(I)>	13.1	32.3	2.7
Completeness [%]	99.4	98.8	98.8
Redundancy	4.9	4.7	5
CC(1/2)	0.997	0.997	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.1 M Bis-Tris Methane pH 5.5, 0.20 Ammonium Sulfate, 18-22% PEG 3350