6LKZ

Crystal structure of isocitrate dehydrogenase 1 from Phaeodactylum tricornutum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.988
Spacegroup name	P 21 21 21
Unit cell lengths	71.973, 128.548, 124.295
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.040 - 2.800
R-factor	0.2294
Rwork	0.227
R-free	0.28270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ixl
RMSD bond length	0.012
RMSD bond angle	1.612
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	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.090	0.461
Rpim	0.026	0.135
Number of reflections	29303	2871
<I/σ(I)>	26.1	4.3
Completeness [%]	100.0
Redundancy	12.9
CC(1/2)	0.990	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	200 mM Sodium chloride, 100 mM Sodium HEPES (pH 7.5), 25% (w/v) PEG 4000