4ZFJ

Ergothioneine-biosynthetic Ntn hydrolase EgtC, 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	2010-10-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	128.977, 69.507, 160.375
Unit cell angles	90.00, 94.84, 90.00

Refinement procedure

Resolution	47.641 - 1.750
R-factor	0.1509
Rwork	0.149
R-free	0.18010
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.176
Data reduction software	XDS
Data scaling software	Aimless (0.5.2)
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.640	47.640	1.780
High resolution limit [Å]	1.750	9.590	1.750
Rmerge	0.074	0.028	0.654
Rpim	0.047	0.017	0.415
Total number of observations	958644	6229	47488
Number of reflections	283662
<I/σ(I)>	10.3	24.9	1.9
Completeness [%]	99.6	98.7	99.8
Redundancy	3.4	3.4	3.4
CC(1/2)	0.998	0.999	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M MES pH 6.4, 10-12% PEG 20000
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M MES pH 6.4, 10-12% PEG 20000