1GQM

The structure of S100A12 in a hexameric form and its proposed role in receptor signalling

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	120
Collection date	1999-02-15
Spacegroup name	P 1 21 1
Unit cell lengths	53.875, 100.501, 112.687
Unit cell angles	90.00, 94.55, 90.00

Refinement procedure

Resolution	20.000 * - 2.700
R-factor	0.217 *
Rwork	0.217
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e8a
RMSD bond length	0.017 *
RMSD bond angle	1.861 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.053	0.412 *
Number of reflections	32446	3107 *
<I/σ(I)>	16.7	2.3
Completeness [%]	98.3	95.3
Redundancy	2.6	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		20-25% PEG 5K MONOMETHYL ETHER, 0.2M CALCIUM CHLORIDE, 0.1M SODIUM CACODYLATE, HANGING DROP, pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4-7 (mg/ml)
2	1	reservoir	PEG5000 MME	10-20 (%)
3	1	reservoir		0.2 (M)
4	1	reservoir	sodium cacodylate	0.1 (M)	pH6.5