4PIM

Ergothioneine-biosynthetic methyltransferase EgtD, apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-08-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	71.812, 75.500, 138.674
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.620 - 1.750
R-factor	0.1579
Rwork	0.156
R-free	0.18660
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.116
Data scaling software	Aimless (0.2.17)
Phasing software	SHARP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.620	41.620	1.780
High resolution limit [Å]	1.750	9.090	1.750
Rmerge	0.112	0.048	1.269
Rpim	0.031	0.013	0.342
Total number of observations	1036396	8234	57910
Number of reflections	74530
<I/σ(I)>	15.8	45.4	2.5
Completeness [%]	97.4	98.9	95.8
Redundancy	13.9	13	14.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	293	18% w/v PEG8000, 20% w/v glycerol, 0.08 M MES, pH 6.3, 0.16 M magnesium acetate