3HUE

Structure of the S. pombe Nbs1 FHA-BRCT1-BRCT2 domains

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9796, 0.9797
Spacegroup name	C 2 2 21
Unit cell lengths	54.671, 204.538, 62.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.800
R-factor	0.23826
Rwork	0.236
R-free	0.28518
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	1.758
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.100	0.426
Number of reflections	16723
<I/σ(I)>	13.9	2.75
Completeness [%]	99.9	100
Redundancy	4.3	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	281	1.2-1.4M potassium formate, 100mM sodium acetate pH 4.6, 5% w/v polyethylene glycol 8000, VAPOR DIFFUSION, HANGING DROP, temperature 281K