1DQU

CRYSTAL STRUCTURE OF THE ISOCITRATE LYASE FROM ASPERGILLUS NIDULANS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1996-02-27
Detector	MARRESEARCH
Spacegroup name	P 42 21 2
Unit cell lengths	91.930, 91.930, 152.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.800
R-factor	0.276
Rwork	0.273
R-free	0.37600
RMSD bond length	0.013
RMSD bond angle	1.500
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	MLPHARE
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.050	0.439
Total number of observations	62390 *
Number of reflections	21252
<I/σ(I)>	13.2
Completeness [%]	91.5	71.9
Redundancy	2.9	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	Langridge, S.J., (1997) Acta Crystallogr., Sect.D, 53, 488. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	PEG2000	1-20 (%(w/v))
3	1	drop	sodium HEPES	0.1 (M)