4F1B

Human Insulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.45860
Spacegroup name	H 3
Unit cell lengths	81.990, 81.990, 33.750
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.990 - 1.591
R-factor	0.1491
Rwork	0.145
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.862
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.995	21.006	1.680
High resolution limit [Å]	1.591	5.030	1.591
Rmerge		0.038	0.354
Total number of observations		1241	4543
Number of reflections	10239
<I/σ(I)>	11.6	14.3	1.7
Completeness [%]	90.2	98.3	99.9
Redundancy	3.2	3.5	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	2 uL 0.1 M sodium phosphate, pH 5.5, 10% w/v PEG6000 + 2 uL 100 U/mL human insulin (Novolin R, lot # TS 62987), cryoprotectant: mother liquor + 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291K