2WRV

Semi-synthetic highly active analogue of human insulin NMeHisB26-DTI- NH2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-19
Detector	ADSC QUANTUM 4r
Spacegroup name	I 41 2 2
Unit cell lengths	39.170, 39.170, 123.593
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.340 - 2.150
R-factor	0.20298
Rwork	0.200
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mso
RMSD bond length	0.021
RMSD bond angle	1.677
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0082)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.340	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.070	0.269
Number of reflections	4113
<I/σ(I)>	14.5	6.8
Completeness [%]	97.8	97.4
Redundancy	7.2	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.2		0.1 NA CITRATE, 0.3 M TRIS PH 8.2, 0.6 MM ZN ACETATE, 0.06% PHENOL