6ZI8

X-ray diffraction structure of bovine insulin at 2.3 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979855
Spacegroup name	H 3
Unit cell lengths	81.280, 81.280, 33.310
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.200 - 2.300
R-factor	0.1661
Rwork	0.162
R-free	0.23790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a3g
RMSD bond length	0.008
RMSD bond angle	1.174
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.200	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.095	0.282
Rmeas	0.107	0.347
Number of reflections	3613	239
<I/σ(I)>	11.81
Completeness [%]	99.3	93.7
Redundancy	4.67	2.76
CC(1/2)	0.993	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.5	293	50mM MES pH 6.5, 10mM ZnCl2, 10mM NaCl in double-distilled water