4OLE

Crystal structure of a neighbor of BRCA1 gene 1 (NBR1) from Homo sapiens at 2.52 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97891,0.97949,0.91837
Spacegroup name	P 42 21 2
Unit cell lengths	111.457, 111.457, 230.607
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.720 - 2.520
R-factor	0.1737
Rwork	0.173
R-free	0.18820
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.720	48.720	2.610
High resolution limit [Å]	2.520	5.400	2.520
Rmerge	0.122	0.056	1.222
Number of reflections	50067	5435	4894
<I/σ(I)>	15.26	34	2.09
Completeness [%]	99.9	99.3	99.9
Redundancy	8.76		9.01

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.33	277	2.35M ammonium sulfate, 0.1M TRIS pH 8.33, 0.01M Adenosine-5'-triphosphate disodium salt hydrate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K