6GNQ

Monoclinic crystalline form of human insulin, complexed with meta-cresol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.239530
Spacegroup name	P 1 21 1
Unit cell lengths	47.662, 70.361, 84.748
Unit cell angles	90.00, 105.21, 90.00

Refinement procedure

Resolution	81.780 - 2.200
R-factor	0.22569
Rwork	0.223
R-free	0.27890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1znj
RMSD bond length	0.005
RMSD bond angle	0.902
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0218)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.780	2.270
High resolution limit [Å]	2.200	2.200
Rmerge		0.123
Rmeas		0.134
Rpim		0.052
Number of reflections	27332
<I/σ(I)>	12.3
Completeness [%]	99.1
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.1	298	sodium-monopotassium phosphate buffer, zinc acetate, m-cresol