5OGS

Crystal structure of human AND-1 SepB domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	F 4 3 2
Unit cell lengths	249.712, 249.712, 249.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.140 - 2.503
R-factor	0.1781
Rwork	0.176
R-free	0.21070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c8s
RMSD bond length	0.001
RMSD bond angle	0.413
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MR-Rosetta
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.140	2.593
High resolution limit [Å]	2.503	2.503
Rmerge	0.123	1.494
Rpim	0.031	0.404
Number of reflections	23558	2288
<I/σ(I)>	24.3	1.92
Completeness [%]	99.9	99.52
Redundancy	16.8	14.4
CC(1/2)	0.999	0.563

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 MHEPES pH 7.0, 1.1M di-sodium malonate and 0.5 % (v/v) Jeffamine ED-2003, supplemented with 0.36 to 0.42 M sulfobetaine NDSB-195