4WS9

Crystal structure of sMAT N159G from Sulfolobus solfataricus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	74.716, 289.202, 174.686
Unit cell angles	90.00, 99.85, 90.00

Refinement procedure

Resolution	30.000 - 2.803
R-factor	0.2213
Rwork	0.221
R-free	0.25580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k0b
RMSD bond length	0.016
RMSD bond angle	1.615
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.9)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.850
High resolution limit [Å]	2.800	7.560	2.800
Rmerge	0.144	0.045	0.879
Rmeas	0.160	0.052
Rpim	0.079	0.025	0.476
Total number of observations	527284
Number of reflections	134821
<I/σ(I)>	4.4
Completeness [%]	75.9	99.7	56.3
Redundancy	3.9	4.2	3.9
CC(1/2)		0.990	0.606

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	1.1M-1.6M LiSO4, 0.1M TRIS pH 8.5