5UL2

Structure of Apo, SeMet-labeled Cobalamin-dependent S-adenosylmethionine radical enzyme OxsB

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	2013-04-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	94.392, 106.917, 117.494
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.539 - 2.552
R-factor	0.1896
Rwork	0.187
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SIRAS solved structure of apo-SeMet OxsB
RMSD bond length	0.002
RMSD bond angle	0.464
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	2.640
High resolution limit [Å]	2.550	2.550
Rmerge	0.097	0.600
Number of reflections	39020	3822
<I/σ(I)>	15.4	2.7
Completeness [%]	99.8	99.2
Redundancy	6.5	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	298	0.1 M Bicine (pH 7.6), 10% w/v PEG 1500, 20% v/v ethylene glycol