5LFN

Crystal structure of human chondroadherin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	56.480, 111.590, 128.680
Unit cell angles	90.00, 92.22, 90.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.2457
Rwork	0.245
R-free	0.26230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	DE NOVO MODELS
RMSD bond length	0.002
RMSD bond angle	0.589
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMPLE
Refinement software	PHENIX ((1.11rc2_2531: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.088	0.697
Number of reflections	88893
<I/σ(I)>	6.7	1.1
Completeness [%]	95.8	91.1
Redundancy	2.4	2
CC(1/2)	0.994	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9.5	293	21% PEG 3350, 6% xylitol, 0.1 M glycine-NaOH pH 9.5-10.5, 0.2 M ammonium sulfate. Protein at 1.2 mg/ml in 20 mM Tris pH 7.0, 200 mM NaCl. Mixed in 1:1 ratio with reservoir.