4HPV

Crystal structure of S-Adenosylmethionine synthetase from Sulfolobus solfataricus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 65 2 2
Unit cell lengths	151.304, 151.304, 221.145
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.526 - 2.214
R-factor	0.2
Rwork	0.199
R-free	0.22010
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.685
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX (PHASER)
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.250
High resolution limit [Å]	2.210	6.000	2.210
Rmerge	0.118
Number of reflections	74442
<I/σ(I)>	6.2
Completeness [%]	98.7	100	76.6
Redundancy	19.9	20.1	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	Protein Solution (6.8-13.5 mg/ml protein, 25mM Tris pH 8.0) mixed in a 1:1 ratio with the well solution (1.4M Sodium phosphate monobasic monohydrate / Potassium phosphate dibasic, pH 5.6) Cryoprotected with 20% DMSO, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	Protein Solution (6.8-13.5 mg/ml protein, 25mM Tris pH 8.0) mixed in a 1:1 ratio with the well solution (1.4M Sodium phosphate monobasic monohydrate / Potassium phosphate dibasic, pH 5.6) Cryoprotected with 20% DMSO, VAPOR DIFFUSION, HANGING DROP, temperature 298K