2QBY

Crystal structure of a heterodimer of Cdc6/Orc1 initiators bound to origin DNA (from S. solfataricus)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-20
Detector	ADSC QUANTUM 210
Wavelength(s)	1.11111, 0.979578, 0.979733, 0.987379
Spacegroup name	C 2 2 21
Unit cell lengths	77.649, 199.143, 213.405
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.350
R-factor	0.2262
Rwork	0.226
R-free	0.26920
Structure solution method	MAD
Starting model (for MR)	1fnn
RMSD bond length	0.005
RMSD bond angle	0.837
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.470
High resolution limit [Å]	3.350	3.350
Rmerge		0.835
Number of reflections	24287
<I/σ(I)>	25.4	1.93
Completeness [%]	98.7	99
Redundancy	6.9	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5	292	25mM HEPES pH 7.5, 50mM sodium chloride, 5% glycerol, 0.5mM TCEP, 15mM spermidine, 15mM sodium cacodylate pH 5.0, 4.4% (w/v) PEG 3350 and 25mM potassium thiocyanate, microbatch, temperature 292K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	HEPES
10	1	1	PEG 3350
11	1	2	PEG 3350
12	1	1	potassium thiocyanate
13	1	2	potassium thiocyanate
2	1	2	HEPES
3	1	1	sodium chloride
4	1	2	sodium chloride
5	1	1	TCEP
6	1	2	TCEP
7	1	1	spermidine
8	1	1	sodium cacodylate
9	1	2	sodium cacodylate