4Q10

The catalytic core of Rad2 in complex with DNA substrate (complex IV)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.89440
Spacegroup name	C 1 2 1
Unit cell lengths	98.680, 97.958, 112.038
Unit cell angles	90.00, 96.41, 90.00

Refinement procedure

Resolution	43.133 - 2.700
R-factor	0.2344
Rwork	0.232
R-free	0.28410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q0r
RMSD bond length	0.007
RMSD bond angle	1.006
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	111.300	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.071	0.603
Number of reflections	27918
<I/σ(I)>	19.7	1.9
Completeness [%]	95.5	99.9
Redundancy		3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	8% (w/v) PEG 8000, 18% (v/v) ethylene glycol, 0.2 M D-glucose, 0.2 M D-mannose, 0.2 M D-galactose, 0.2 M L-fructose, 0.2 M D-xylose, 0.2 M N-acetyl-D-glucosamine, and 0.1 M MOPS/HEPES-Na, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K