2I3Q

Q44V mutant of Homing Endonuclease I-CreI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Detector technology	IMAGE PLATE
Collection date	2006-08-11
Detector	RIGAKU RAXIS II
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	43.060, 67.978, 87.497
Unit cell angles	90.00, 91.53, 90.00

Refinement procedure

Resolution	27.690 - 2.300
Rwork	0.217
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g9y
RMSD bond length	0.006
RMSD bond angle	1.258
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR (2.5)
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.690	30.000	2.340
High resolution limit [Å]	2.300	6.230	2.300
Rmerge	0.039	0.023	0.091
Number of reflections	19300
<I/σ(I)>	21.5
Completeness [%]	85.4	75.3	80.5
Redundancy	2.3	2.6	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	298	PEG 400 28%, pH 6.5, VAPOR DIFFUSION, temperature 298K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 400
2	1	1	HOH
3	1	2	PEG 400
4	1	2	HOH