4YHX

Crystal Structure of LAGLIDADG Meganuclease I-GpeMI Bound to Uncleaved DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	C 1 2 1
Unit cell lengths	151.985, 39.895, 73.986
Unit cell angles	90.00, 90.43, 90.00

Refinement procedure

Resolution	50.000 - 2.150
R-factor	0.1812
Rwork	0.178
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qqy
RMSD bond length	0.013
RMSD bond angle	1.627
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.101	0.057	0.455
Rmeas	0.119	0.068	0.547
Rpim	0.063	0.036	0.301
Total number of observations	84408
Number of reflections	24373
<I/σ(I)>	14.8
Completeness [%]	99.3	97.8	97.6
Redundancy	3.5	3.3	3
CC(1/2)		0.991	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	22.5% PEG 3000, 50mM CaCl2