4F1G
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 | 2010-10-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.45860 |
Spacegroup name | H 3 |
Unit cell lengths | 82.090, 82.090, 33.810 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.040 - 1.637 |
R-factor | 0.1696 |
Rwork | 0.167 |
R-free | 0.22160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.026 |
RMSD bond angle | 2.130 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.045 | 24.500 | 1.730 |
High resolution limit [Å] | 1.637 | 5.180 | 1.637 |
Rmerge | 0.062 | 0.039 | 0.267 |
Total number of observations | 1056 | 3564 | |
Number of reflections | 9281 | ||
<I/σ(I)> | 12.9 | 15.3 | 1.7 |
Completeness [%] | 88.7 | 98.8 | 93.1 |
Redundancy | 2.9 | 3.2 | 2.5 |
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 (Humulin R, lot # A 560347), cryoprotectant: mother liquor + 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291K |