1CQP

CRYSTAL STRUCTURE ANALYSIS OF THE COMPLEX LFA-1 (CD11A) I-DOMAIN / LOVASTATIN AT 2.6 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-02-20
Detector	MAC Science DIP-2030
Spacegroup name	P 21 21 21
Unit cell lengths	72.700, 77.700, 91.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.600
R-factor	0.19
Rwork	0.190
R-free	0.25700
RMSD bond length	0.012
RMSD bond angle	25.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.116	0.484
Total number of observations	87179 *
Number of reflections	16457
<I/σ(I)>	13.9
Completeness [%]	99.9	99.8
Redundancy	5.3	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	20 *	PEG 6000, HEPES, MAGNESIUM SULFATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	100 (mM)
2	1	reservoir	PEG6000	30 (%(w/v))