4U1Q

Crystal structure of S-adenosylmethionine-dependent methyltransferase SibL in complex with 3HK and SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	200
Detector technology	CCD
Collection date	2013-09-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	93.304, 112.783, 143.139
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.529 - 2.085
R-factor	0.1722
Rwork	0.171
R-free	0.21320
RMSD bond length	0.008
RMSD bond angle	1.086
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.085	2.085
Number of reflections	89602
<I/σ(I)>	23.2	4.2
Completeness [%]	99.8	100
Redundancy	7.3	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	2.0 M Ammonium sulfate 0.1 M TRIS hydrochloride pH 8.5