4IYF

Insulin glargine crystal structure 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-09-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.502
Spacegroup name	I 21 3
Unit cell lengths	77.300, 77.300, 77.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.659 - 1.800
R-factor	0.2155
Rwork	0.213
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1trz
RMSD bond length	0.019
RMSD bond angle	1.559
Data reduction software	d*TREK (9.9.8.6 W9RSSI)
Data scaling software	d*TREK
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX (dev_1184)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.560	31.560	1.850
High resolution limit [Å]	1.780	3.840	1.780
Rmerge	0.054	0.047	0.548
Total number of observations		3143	2878
Number of reflections	7494
<I/σ(I)>	12	38.1	2
Completeness [%]	99.7	98.6	99.7
Redundancy	3.98	3.82	3.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M Tris, 30% PEG-400 v/v, 0.2 M sodium citrate dihydrate, pH 8.0, vapor diffusion, sitting drop, temperature 293K