1Q7D

Structure of the integrin alpha2beta1 binding collagen peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	85
Detector technology	CCD
Collection date	2001-01-06
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	29.600, 135.800, 25.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.800
R-factor	0.2363
Rwork	0.236
R-free	0.25900 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.610 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.105	0.344 *
Number of reflections	5060
<I/σ(I)>	12.9	5
Completeness [%]	98.2 *	95.2
Redundancy	2.9 *	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5 *	4 *	PEG 8K, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	cacodylate	0.1 (M)	pH6.5
3	1	reservoir	sodium acetate	0.2 (M)
4	1	reservoir	PEG8000	30 (%(w/v))