5NSA

Beta domain of human transcobalamin bound to Co-beta-[2-(2,4-difluorophenyl)ethinyl]cobalamin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-30
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	61.721, 62.298, 33.762
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.846 - 1.273
R-factor	0.1459
Rwork	0.144
R-free	0.17880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	2.284
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	43.850
High resolution limit [Å]	1.270
Number of reflections	33543
<I/σ(I)>	24.4
Completeness [%]	96.2
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293.15	0.3 M potassium formate, 17% w/v polyethylene glycol 3,350