7DUT

Structure of Sulfolobus solfataricus SegA 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	2019-03-17
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	50.481, 142.947, 65.251
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.910 - 2.100
R-factor	0.194
Rwork	0.190
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6iub
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.140
High resolution limit [Å]	2.100	5.690	2.100
Rmerge	0.096	0.038	0.631
Rmeas	0.105	0.042	0.680
Rpim	0.040	0.018	0.253
Total number of observations	98183
Number of reflections	14301	793	694
<I/σ(I)>	7.8
Completeness [%]	100.0	99.6	100
Redundancy	6.9	5.4	7.1
CC(1/2)		0.998	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	MES sodium salt pH 6.5, PEG8000, calcium acetate