1PK6

Globular Head of the Complement System Protein C1q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	1998-01-28
Detector	ADSC
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	80.182, 53.222, 90.880
Unit cell angles	90.00, 112.32, 90.00

Refinement procedure

Resolution	26.000 * - 1.850
R-factor	0.20057
Rwork	0.199
R-free	0.23900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB: 1GR3
RMSD bond length	0.010
RMSD bond angle	1.321
Data reduction software	XDS
Data scaling software	CCP4
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.000 *	1.980
High resolution limit [Å]	1.850	1.850 *
Rmerge	0.073	0.230
Total number of observations	116591 *
Number of reflections	26090	3614 *
<I/σ(I)>	7.1	1.7
Completeness [%]	90.0	67.2
Redundancy	4.73	1.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6 *	20 *	PEG 4000, CaCl2, B-mercaptoethanol, agarose, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 20K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3-5 (mg/ml)
10	1	reservoir	beta-mercaptoethanol	10 (mM)
2	1	drop	Tris-HCl	50 (mM)	pH7.6
3	1	drop		250 (mM)
4	1	drop	glycerol	2 (%)
5	1	drop	sulfobetaine195	100 (mM)
6	1	drop	agarose	0.2-0.4 (%)
7	1	reservoir	PEG4000	28-41 (%)
8	1	reservoir	Tris-HCl	100 (mM)	pH7.0
9	1	reservoir		50 (mM)