2YAJ

CRYSTAL STRUCTURE OF GLYCYL RADICAL ENZYME with bound substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	133.049, 228.588, 148.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.157 - 1.813
R-factor	0.1909
Rwork	0.188
R-free	0.24420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r9d
RMSD bond length	0.017
RMSD bond angle	1.612
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.160	1.880
High resolution limit [Å]	1.810	1.810
Rmerge	0.090	0.330
Number of reflections	202600
<I/σ(I)>	13	5
Completeness [%]	99.0	99
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			22 % PEG MME 550, 30 MM MGCL2, 100 MM TRIS/HCL PH 7.5 - 8.4 .