4F1F
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) | 1.458600 |
Spacegroup name | H 3 |
Unit cell lengths | 81.630, 81.630, 33.780 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.810 - 1.684 |
R-factor | 0.1968 |
Rwork | 0.194 |
R-free | 0.25820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.025 |
RMSD bond angle | 2.173 |
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] | 40.825 | 24.421 | 1.780 |
High resolution limit [Å] | 1.684 | 5.330 | 1.684 |
Rmerge | 0.055 | 0.027 | 0.199 |
Total number of observations | 1073 | 3673 | |
Number of reflections | 8241 | ||
<I/σ(I)> | 15.4 | 24 | 3.4 |
Completeness [%] | 86.8 | 88.3 | 88 |
Redundancy | 3.6 | 4.1 | 3 |
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 |