4F4V
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 | 81.970, 81.970, 33.690 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.435 - 1.637 |
R-factor | 0.2118 |
Rwork | 0.209 |
R-free | 0.26380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.026 |
RMSD bond angle | 2.054 |
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] | 24.435 | 24.435 | 1.730 |
High resolution limit [Å] | 1.637 | 5.180 | 1.637 |
Rmerge | 0.151 | 0.068 | 0.682 |
Total number of observations | 1008 | 3414 | |
Number of reflections | 9124 | ||
<I/σ(I)> | 6.3 | 8.5 | 0.5 |
Completeness [%] | 87.8 | 89.6 | 94.7 |
Redundancy | 2.8 | 3.4 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 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 505073), cryoprotectant: mother liquor + 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |