1OYY

Structure of the RecQ Catalytic Core bound to ATP-gamma-S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	110
Detector technology	CCD
Collection date	2003-02-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9000
Spacegroup name	P 1 21 1
Unit cell lengths	66.591, 54.534, 78.686
Unit cell angles	90.00, 110.78, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.23
Rwork	0.210
R-free	0.29800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oyw
RMSD bond length	0.012
RMSD bond angle	3.200 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.000 *	2.630
High resolution limit [Å]	2.500	2.500
Rmerge	0.048 *	0.133 *
Total number of observations	47206 *
Number of reflections	17529 *
<I/σ(I)>	12.8	7.1
Completeness [%]	92.1 *	92.1
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5 *		PEG 1000, PEG 400, MES, Ammonium Sulfate, Manganese Chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 110K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop		100 (mM)
3	1	reservoir	PEG1000	0.5 (%)
4	1	reservoir	PEG400	2-4 (%)
5	1	reservoir	MES	50 (mM)	pH6.5
6	1	reservoir	ammonium sulfate	50 (mM)