1G7A

1.2 A structure of T3R3 human insulin at 100 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-03-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.8000
Spacegroup name	H 3
Unit cell lengths	80.127, 80.127, 71.582
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.200 - 1.200
R-factor	0.169 *
Rwork	0.169
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1trz
RMSD bond length	0.009
RMSD bond angle	20.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.200	1.230
High resolution limit [Å]	1.200	1.200
Rmerge	0.049	0.299
Total number of observations	925256 *
Number of reflections	53646
<I/σ(I)>	42.8	7.1
Completeness [%]	100.0	75.9 *
Redundancy	8.6	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microgravity *	6.3	298	5 mg/ml human insulin, 0.01 M HCl, 0.007 M zinc acetate, 0.05 M sodium citrate, 17% acetone, 1.0 M NaCl. pH 6.3, SLOW COOLING at 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	insulin	5 (mg/ml)
2	1	1		0.01 (M)
3	1	1	zinc acetate	0.007 (M)
4	1	1	sodium citrate	0.05 (M)
5	1	1	acetone	17 (%)
6	1	1		1.0 (M)