1VKO

Crystal structure of inositol-3-phosphate synthase (ce21227) from Caenorhabditis elegans at 2.30 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-27
Detector	ADSC QUANTUM 315
Spacegroup name	I 2 2 2
Unit cell lengths	76.980, 129.980, 131.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.410 - 2.300
R-factor	0.20352
Rwork	0.200
R-free	0.26455
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Obtained from MAD data of a crystal of SE-MET substituted protein in space group P21 21 2
RMSD bond length	0.015
RMSD bond angle	1.608
Data reduction software	MOSFLM
Data scaling software	SCALA (4.2))
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0003)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.410	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.059	0.344
Number of reflections	28995
<I/σ(I)>	14.5	3.9
Completeness [%]	98.0	98.6
Redundancy	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		293	0.12M Na Cl, 0.90M Tartrate_K Na, 0.084M Imidazole, 0.016M Imidazole Chloride , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K