6ZN4

MaeB malic enzyme domain apoprotein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97948
Spacegroup name	P 1 21 1
Unit cell lengths	48.028, 92.654, 96.956
Unit cell angles	90.00, 91.10, 90.00

Refinement procedure

Resolution	48.019 - 1.679
R-factor	0.1718
Rwork	0.170
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cee
RMSD bond length	0.007
RMSD bond angle	1.109
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.019	1.700
High resolution limit [Å]	1.670	1.670
Number of reflections	96511	4697
<I/σ(I)>	10.81
Completeness [%]	97.8
Redundancy	6.81
CC(1/2)	0.990	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9.3	289	0.1M bicine pH 9.3 25% w/v PEG smear medium