7DV3

Structure of Sulfolobus solfataricus SegA-AMPPNP protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-10-28
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	53.293, 62.058, 145.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.040 - 2.600
R-factor	0.2184
Rwork	0.213
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dut
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.690
High resolution limit [Å]	2.600	5.590	2.600
Rmerge	0.086	0.044	0.398
Rmeas	0.099	0.051	0.457
Rpim	0.048	0.025	0.219
Total number of observations	59507
Number of reflections	14837	1491	1469
<I/σ(I)>	8.2
Completeness [%]	95.5	88	97.2
Redundancy	4	3.9	4.1
CC(1/2)		0.998	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	MES pH 6.0, Magnesium formate, Pentaerythritol ethoxylate (15/4 EO/OH)