4XGI

Crystal structure of Glutamate dehydrogenase from Burkholderia thailandensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-18
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	95.490, 93.520, 158.370
Unit cell angles	90.00, 106.23, 90.00

Refinement procedure

Resolution	45.842 - 2.000
R-factor	0.1766
Rwork	0.176
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3aoe search with two domains
RMSD bond length	0.008
RMSD bond angle	1.033
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.083	0.038	0.392
Rmeas	0.090	0.041	0.443
Total number of observations	1153986
Number of reflections	174736	2061	12288
<I/σ(I)>	14.91	36.44	3.3
Completeness [%]	96.7	96.7	92.6
Redundancy	6.6		4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	Microlytics MCSG1 screen F1: 20% PEG 5000MME, 100mM BisTris pH 6.5; ButhA.17991.a.A1.PW33475 at 20mg/ml with 2.5mM NAD and 2.5mM Glu; cryo: 20% EG; tray 257704f1, puck smx9-3