6LKY

Crystal structure of isocitrate dehydrogenase from Methylococcus capsulatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.988
Spacegroup name	P 21 21 2
Unit cell lengths	169.168, 69.794, 71.084
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.540 - 2.200
R-factor	0.1655
Rwork	0.164
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gre
RMSD bond length	0.009
RMSD bond angle	1.350
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	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.069	0.300
Rpim	0.026	0.110
Number of reflections	43531	4267
<I/σ(I)>	30	9
Completeness [%]	100.0
Redundancy	7.9
CC(1/2)	0.999	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	290 mM Calcium acetate monohydrate, 100 mM HEPES (pH 7.0), 10.8% (w/v) PEG 4000, 8% Glycerol