2W00

Crystal structure of the HsdR subunit of the EcoR124I restriction enzyme in complex with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-20
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	123.910, 129.922, 161.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 2.600
R-factor	0.221
Rwork	0.221
R-free	0.26500
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.014
RMSD bond angle	1.418
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	Auto-Rickshaw
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.130	0.500
Number of reflections	80316
<I/σ(I)>	17.9	5.8
Completeness [%]	100.0	100
Redundancy	9.4	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	1 UL OF PROTEIN IN 20 MM PHOSPHATE PH 7.5, 100 MM KCL, 5 MM ATP WAS MIXED WITH 2 UL OF RESERVOIR, CONTAINING 0.2 M LI2SO4, 8 % PEG 20K, 8 % PEG 550 MME, 1.5 MM DTT, 277 K, SITTING DROP