6ULH

Structure of MavC in complex with its substrate in R3 spacegroup

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)	0.987
Spacegroup name	H 3
Unit cell lengths	171.859, 171.859, 58.362
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.903 - 1.968
R-factor	0.1848
Rwork	0.183
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tsc 2gmi 1ubq
RMSD bond length	0.005
RMSD bond angle	0.719
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]	25.903	2.039
High resolution limit [Å]	1.968	1.968
Rmerge	0.098
Rmeas	0.108
Rpim	0.046
Number of reflections	45560	4570
<I/σ(I)>	10.5	1.7
Completeness [%]	99.9	99.74
Redundancy	5.8
CC(1/2)	0.983	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	294	0.1 M Sodium Acetate: HCl, pH 4.6 3.5 M Sodium Formate