1EAQ

The RUNX1 Runt domain at 1.25A resolution: A structural switch and specifically bound chloride ions modulate DNA binding

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	1999-06-06
Detector	ADSC CCD
Wavelength(s)	0.9315,0.9793,0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	91.300, 46.400, 63.000
Unit cell angles	90.00, 92.30, 90.00

Refinement procedure

Resolution	37.000 * - 1.250
R-factor	0.149
Rwork	0.149
R-free	0.17100 *
Structure solution method	MAD
RMSD bond length	0.021 *
RMSD bond angle	2.150 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.27)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.000	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.060	0.245
Total number of observations	606863 *
Number of reflections	71531
<I/σ(I)>	18.3	2
Completeness [%]	97.7	78
Redundancy	8.48	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *		25 % PEG 3350, 16% GLYCEROL, 130 MM NA CACODYLATE, PH 6.4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		1.6 (M)
2	1	drop		100 (mM)
3	1	drop	HEPES	20 (mM)	pH8.0
4	1	drop	protein	23 (mg/ml)
5	1	reservoir	PEG3350	25 (%(w/v))
6	1	reservoir	glycerol	16 (%(v/v))
7	1	reservoir	sodium cacodylate	130 (mM)	pH6.4