5CO2

Crystalization of human zinc insulin at pH 5.5

Experimental procedure

Experimental method	MAD
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-11
Detector	AGILENT TITAN CCD
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	81.283, 81.283, 33.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.560 - 1.700
R-factor	0.1697
Rwork	0.167
R-free	0.21720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.841
Data reduction software	CrysalisPro
Data scaling software	Aimless (0.1.26)
Phasing software	MOLREP (11.0.05)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	14.560	14.560	1.530
High resolution limit [Å]	1.500	7.940	1.500
Rmerge	0.042	0.021	0.608
Rpim	0.034	0.016	0.608
Total number of observations	23106	162	805
Number of reflections	13078
<I/σ(I)>	10	79.3	0.9
Completeness [%]	98.5	75.5	94.6
Redundancy	1.8	2.3	1.2
CC(1/2)	0.997	0.999	0.488

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	2 mcL protein (6 mg/mL in 2 mM HCl) + 2 mcL well solution (0.1 M Na2HPO4 pH 5.5, 10 % m/v PEG 6,000)