4KP2

Crystal structure of homoaconitase large subunit from methanococcus jannaschii (MJ1003)

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	2011-04-30
Detector	RIGAKU SATURN A200
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	68.325, 103.098, 112.922
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.894 - 2.504
R-factor	0.23
Rwork	0.226
R-free	0.27730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kp1
RMSD bond length	0.002
RMSD bond angle	0.563
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.750	2.540
High resolution limit [Å]	2.500	2.690	2.500
Number of reflections	27048
Completeness [%]	96.1	94.7	91.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	18% Jeffamine ED-2001(pH7.0), 0.1M sodium citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K