5OFS

X-ray structure of a zinc binding GB1 mutant

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	2016-12-12
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	74.452, 75.621, 51.153
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.370 - 1.100
R-factor	0.12645
Rwork	0.125
R-free	0.14501
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1igd
RMSD bond length	0.034
RMSD bond angle	1.389
Data reduction software	ADDREF
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.370	1.170
High resolution limit [Å]	1.100	1.100
Rmeas	0.077	0.788
Number of reflections	739647
<I/σ(I)>	9.35	1.35
Completeness [%]	94.6	68.7
Redundancy	3.47	2.28
CC(1/2)	0.997	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	70% MPD, 100 mM ZnSO4, 100 mM NaCI