6UMS

Crystal structure of MavC in complex with its substrate mimic in C222(1) space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2019-08-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978
Spacegroup name	C 2 2 21
Unit cell lengths	98.548, 104.368, 124.441
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.628 - 2.344
R-factor	0.2131
Rwork	0.211
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tsc 2gmi 1ubq
RMSD bond length	0.002
RMSD bond angle	0.479
Data reduction software	TRUNCATE
Data scaling software	HKL-2000
Phasing software	PHENIX (v1.16)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.630	2.428
High resolution limit [Å]	2.340	2.344
Number of reflections	27399	2622
<I/σ(I)>	12.24
Completeness [%]	99.8	97.83
Redundancy	25.47	1.45
CC(1/2)	0.980	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.15 M Potassium bromide, 30% (w/v) PEG 2000 MME