1J1W

Crystal Structure Of The Monomeric Isocitrate Dehydrogenase In Complex With NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2002-06-08
Detector	MARRESEARCH
Wavelength(s)	0.9000
Spacegroup name	P 1 21 1
Unit cell lengths	113.496, 110.407, 133.698
Unit cell angles	90.00, 90.16, 90.00

Refinement procedure

Resolution	10.000 - 3.200
Rwork	0.260
R-free	0.29700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1itw
RMSD bond length	0.008
RMSD bond angle	1.530 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000 *	3.370
High resolution limit [Å]	3.200	3.200
Rmerge	0.110 *	0.385 *
Total number of observations	178630 *
Number of reflections	52458
<I/σ(I)>	7	2.3
Completeness [%]	96.2	92.8
Redundancy	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	PEG 6000, HEPES-NaOH, CaCl2, NADP+, Isocitrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	HEPES-NaOH	100 (mM)	pH7.0
3	1	drop	glycerol	10 (%(v/v))
4	1	reservoir	HEPES-NaOH	100 (mM)	pH7.0
5	1	reservoir	PEG6000	24-28 (%(w/v))
6	1	reservoir	glycerol	20 (%(v/v))
7	1	reservoir	2R, 3S-isocitrate	1-10 (mM)
8	1	reservoir		1-10 (mM)
9	1	reservoir	beta-NADP+	1-10 (mM)