4BEC

MUTANT (K220A) 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 BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Spacegroup name	P 1 21 1
Unit cell lengths	86.329, 124.491, 128.761
Unit cell angles	90.00, 108.31, 90.00

Refinement procedure

Resolution	18.860 - 2.840
R-factor	0.23596
Rwork	0.234
R-free	0.28044
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w00
RMSD bond length	0.010
RMSD bond angle	1.268
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	Auto-Rickshaw
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.900	2.990
High resolution limit [Å]	2.840	2.840
Rmerge	0.090	0.590
Number of reflections	59509
<I/σ(I)>	13.5	2.3
Completeness [%]	97.6	87.6
Redundancy	3.8	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				5UL PROTEIN (WITH 5 MM ATP) MIXED WITH 2 UL WELL SOLUTION OF 13% W/V PEG4K, 22% GLYCEROL, 0.08M MES PH 5.9, 2MM DTT AND 0.7UL NABR