5CEE

Malic enzyme from Candidatus Phytoplasma AYWB in complex with NAD and Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-07-17
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	48.236, 48.236, 291.068
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.256 - 2.498
R-factor	0.1568
Rwork	0.146
R-free	0.19470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dvm
RMSD bond length	0.008
RMSD bond angle	1.151
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.470	2.630
High resolution limit [Å]	2.498	2.498
Rmerge	0.066	0.701
Number of reflections	14448
<I/σ(I)>	20.2	2.4
Completeness [%]	98.4	90.7
Redundancy	6.4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.2 M MgCl2; 0.1 M Tris pH 8.5; 30% PEG 4000