6PBL

Crystal structure of Malate dehydrogenase from Legionella pneumophila Philadelphia 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-25
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	57.560, 79.790, 152.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.810 - 1.850
R-factor	0.1617
Rwork	0.161
R-free	0.19640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bdm 4tvo
RMSD bond length	0.008
RMSD bond angle	0.851
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.810	39.810	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.052	0.027	0.454
Rmeas	0.057	0.030	0.554
Total number of observations	323671
Number of reflections	60783	772	4415
<I/σ(I)>	18.13	41.04	2.2
Completeness [%]	99.9	97.2	99.8
Redundancy	5.325	6.234	3.017
CC(1/2)	0.999	0.999	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	285	RigakuReagents JCSG+ screen, D6: 20% (w/V) PEG 8000, 200mM MgCl2, 100mM Tris base / HCl pH 8.5: LepnA.01212.a.B1.PS38424 at 20mg/ml + 4mM NAD + 4mM sodium malonate pH 7.0. Cryo: 20% EG: tray 300234: puck svh3-10.