5UL3

Structure of Cobalamin-dependent S-adenosylmethionine radical enzyme OxsB with aqua-cobalamin bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	89.357, 99.595, 121.439
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.797 - 1.800
R-factor	0.1803
Rwork	0.178
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Se-Met labeled OxsB
RMSD bond length	0.007
RMSD bond angle	0.877
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.059	0.800
Number of reflections	101068	10014
<I/σ(I)>	15.4
Completeness [%]	100.0	100
Redundancy	13.3	13.2
CC(1/2)		0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1 M MES (6.5), 6% w/v PEG 3350, 20-24% v/v ethylene glycol