8DPB

MeaB in complex with the cobalamin-binding domain of its target mutase with GMPPCP bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	66.230, 80.980, 166.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.990 - 2.720
R-factor	0.2172
Rwork	0.216
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in-house model
RMSD bond length	0.012
RMSD bond angle	0.906
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.990	2.840
High resolution limit [Å]	2.720	2.720
Rmeas	0.158	0.689
Number of reflections	24685	3897
<I/σ(I)>	10.9	2.5
Completeness [%]	99.6	99
Redundancy	8.4	8.4
CC(1/2)	0.996	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	precipitant: 200 mM Lithium Chloride, 20% (w/v) PEG 3350; protein: 182 uM (20.2 mg/mL) complex in SEC buffer supplemented with 182 uM GMPPCP and 364 uM MgCl2); drop ratio: 150 nL of protein to 230 nL of precipitant solution