6VWQ

X-ray crystal structure of clavaminate synthase with vanadyl, succinate, and deoxyproclavaminic 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	79.213, 79.213, 105.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.470 - 1.500
R-factor	0.179
Rwork	0.177
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1drt
RMSD bond length	0.006
RMSD bond angle	0.862
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.470	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	53621
<I/σ(I)>	18.38
Completeness [%]	99.3
Redundancy	9.2

Crystallization Conditions

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