6VWR

X-ray structure of clavaminate synthase with vanadyl, succinate, and deoxyguanidinoproclavaminic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03314
Spacegroup name	P 43 21 2
Unit cell lengths	79.288, 79.288, 105.573
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.500
Rwork	0.175
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1drt
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.400	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	53542
<I/σ(I)>	33.37
Completeness [%]	98.8
Redundancy	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	magnesium acetate, PEG3350