6UMP

Crystal structure of MavC in complex with substrate mimic in P65 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	2019-08-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 65
Unit cell lengths	150.478, 150.478, 53.357
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.746 - 2.800
R-factor	0.2506
Rwork	0.244
R-free	0.30380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tsc 1ubq 2c2v
RMSD bond length	0.003
RMSD bond angle	0.582
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.750	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.201
Rmeas	0.212
Rpim	0.067
Number of reflections	17247	957
<I/σ(I)>	15.13	1.17
Completeness [%]	99.8
Redundancy	10.2
CC(1/2)		0.514

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M Sodium formate, 20% w/v Polyethylene glycol 3,350