6LTF

Dimeric isocitrate dehydrogenase from Xanthomonas campestris pv. campestris 8004

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 8-BM
Synchrotron site	APS
Beamline	8-BM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	C 2 2 21
Unit cell lengths	60.052, 156.657, 68.604
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.420 - 1.610
R-factor	0.1907
Rwork	0.190
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5grh
RMSD bond length	0.008
RMSD bond angle	0.953
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.103	0.542
Rpim	0.047	0.255
Number of reflections	40051	1993
<I/σ(I)>	24.5	3
Completeness [%]	96.0	98.3
Redundancy	5.4	5.2
CC(1/2)		0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	0.1 M Tris-HCl pH 8.5,0.2 M LiSO4, 10% Glycerol