5UL4

Structure of Cobalamin-dependent S-adenosylmethionine radical enzyme OxsB with aqua-cobalamin and S-adenosylmethionine 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	2014-11-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	89.360, 99.600, 121.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.844 - 1.850
R-factor	0.1951
Rwork	0.192
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	OxsB with aqua-cobalamin bound
RMSD bond length	0.009
RMSD bond angle	1.214
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]	44.844	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.052	0.590
Number of reflections	93159	9182
<I/σ(I)>	23.1	1.9
Completeness [%]	99.2	99.2
Redundancy	3.7	3.7
CC(1/2)		0.770

Crystallization Conditions

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