3DMS

1.65A crystal structure of isocitrate dehydrogenase from Burkholderia pseudomallei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	103.993, 62.238, 70.998
Unit cell angles	90.00, 118.52, 90.00

Refinement procedure

Resolution	45.690 - 1.650
R-factor	0.206
Rwork	0.205
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.013
Data reduction software	DENZO
Data scaling software	d*TREK (9.7L)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.680	45.680	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.043	0.023	0.286
Total number of observations		16747	13196
Number of reflections	47920
<I/σ(I)>	13.9	46.1	2.9
Completeness [%]	99.8	99.7	99.3
Redundancy	3.35	3.37	2.79

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	289	20% PEG 3350, 2M POTASSIUM FORMATE, pH 7, VAPOR DIFFUSION, temperature 289K