6F5N

Nickel-Bound Crystal Structure of a GB1 Variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-29
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	26.680, 59.328, 75.729
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.700 - 2.200
R-factor	0.2666
Rwork	0.257
R-free	0.35580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1igd
RMSD bond length	0.013
RMSD bond angle	1.238
Data reduction software	ADDREF
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.700	2.330
High resolution limit [Å]	2.200	2.200
Rmeas	0.135	0.810
Number of reflections	49277	997
<I/σ(I)>	8.2	2.35
Completeness [%]	99.4	96.9
Redundancy	7.5
CC(1/2)	0.990	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	50 mM nickel (II) chloride hexahydrate, 0.1 M Tris, 20 % w/v PEG 4000, pH 8.5.