7C1O

Crystal structure of Aquifex aeolicus Era Y63A bound to GDP.AlF4-

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-07-03
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	36.377, 72.860, 120.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.520 - 2.180
R-factor	0.2081
Rwork	0.205
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iev
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.520	46.520	2.240
High resolution limit [Å]	2.180	9.750	2.180
Rmerge	0.077	0.024	1.052
Rmeas	0.083	0.027	1.131
Rpim	0.030	0.011	0.409
Total number of observations	135548	1537	9213
Number of reflections	17524	250	1248
<I/σ(I)>	16.9	52.1	1.8
Completeness [%]	99.9	99.4	98.5
Redundancy	7.7	6.1	7.4
CC(1/2)	0.999	0.999	0.622

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	291	10 mg/ml protein with equal volume of 100 mM Bis-Tris, 200 mM Ammonium acetate, 18 % PEG 10000