7VOC

The crystal structure of a Radical SAM Enzyme BlsE involved in the Biosynthesis of Blasticidin S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	I 41 2 2
Unit cell lengths	163.920, 163.920, 158.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.221 - 2.620
R-factor	0.214761018098
Rwork	0.214
R-free	0.23420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vob
RMSD bond length	0.003
RMSD bond angle	0.670
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.320	2.690
High resolution limit [Å]	2.620	2.620
Rmerge	0.211
Number of reflections	32642	32642
<I/σ(I)>	11.1
Completeness [%]	99.9
Redundancy	26.3
CC(1/2)	0.998	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	293	0.1 M MES monohydrate pH 6.07 , 2.8 M NaCl