1M5A

Crystal Structure of 2-Co(2+)-Insulin at 1.2A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1994-10-15
Detector	MARRESEARCH
Wavelength(s)	1.488
Spacegroup name	H 3
Unit cell lengths	80.750, 80.750, 33.630
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.200
R-factor	0.185
Rwork	0.181
R-free	0.24120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ins
RMSD bond length	0.051
RMSD bond angle	5.600
Data reduction software	ROTAVATA
Data scaling software	CCP4 ((AGROVATA)
Phasing software	AMoRE
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.280
High resolution limit [Å]	1.200	1.200
Rmerge	0.075	0.354
Number of reflections	25345
Completeness [%]	99.1	94.7
Redundancy	2.86	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SLOW COOLING	6.3	300	cobalt acetate, trisodium citrate, acetone, hydrochloric acid, pH 6.3, SLOW COOLING, temperature 300K
1	SLOW COOLING	6.3	300	cobalt acetate, trisodium citrate, acetone, hydrochloric acid, pH 6.3, SLOW COOLING, temperature 300K
1	SLOW COOLING	6.3	300	cobalt acetate, trisodium citrate, acetone, hydrochloric acid, pH 6.3, SLOW COOLING, temperature 300K