7VUA

Anaerobic hydroxyproline degradation involving C-N cleavage by a glycyl radical enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	117.841, 218.212, 168.174
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.142 - 2.695
R-factor	0.176
Rwork	0.174
R-free	0.24320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Phyre2 prediction struction
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3247)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.695	7.320	2.700
Rmerge	0.141	0.051	0.939
Rmeas	0.147	0.053	0.975
Rpim	0.040	0.015	0.263
Number of reflections	59889	3182	2931
<I/σ(I)>	3.6
Completeness [%]	100.0	100	100
Redundancy	13.3	12.3	13.5
CC(1/2)		0.999	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1M HEPES pH 7.5, 10% (w/v) PEG 8000, 8% (v/v) Ethylene glycol