7RKD

X-Ray structure of Insulin Analog GLULISINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	H 3
Unit cell lengths	81.945, 81.945, 33.468
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.970 - 1.250
R-factor	0.196
Rwork	0.194
R-free	0.21530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o17
RMSD bond length	0.026
RMSD bond angle	2.983
Data reduction software	TRUNCATE (1.17.29)
Data scaling software	Aimless (0.7.7)
Phasing software	MOLREP (11.7.03)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.979	40.970	1.270
High resolution limit [Å]	1.250	6.850	1.250
Rmerge	0.070	0.051
Rmeas	0.079	0.057
Rpim	0.036	0.024
Number of reflections	23171	138	1137
<I/σ(I)>	8.8
Completeness [%]	99.9	99.8	99.9
Redundancy	4.5	5.4	3.5
CC(1/2)	0.998	0.988	0.133

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293.15	0.1 M Magnesium formate dihydrate