7RTG

Crystal Structure of the Human Adenosine Deaminase 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-03-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 1 2 1
Unit cell lengths	80.910, 49.519, 89.085
Unit cell angles	90.00, 96.18, 90.00

Refinement procedure

Resolution	42.170 - 2.591
R-factor	0.2074
Rwork	0.201
R-free	0.26080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iar
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.170	50.000	2.684
High resolution limit [Å]	2.591	7.020	2.591
Rmerge	0.120	0.031	0.370
Rmeas	0.149	0.038	0.504
Rpim	0.088	0.022	0.341
Number of reflections	17712	1119	463
<I/σ(I)>	7.39		1.75
Completeness [%]	75.7	94.2	24.7
Redundancy	2.4	2.6	1.3
CC(1/2)	0.980	0.985	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	293.15	0.49 M sodium phosphate monobasic monohydrate, 0.91 M potassium phosphate dibasic, pH 6.9