4EWW
Human Insulin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE D03B-MX1 |
Synchrotron site | LNLS |
Beamline | D03B-MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MAR CCD 165 mm |
Spacegroup name | H 3 |
Unit cell lengths | 80.910, 80.910, 33.240 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.450 - 2.300 |
R-factor | 0.2086 |
Rwork | 0.201 |
R-free | 0.28750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.655 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.455 | 20.227 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.031 | 0.170 | |
Total number of observations | 331 | 1590 | |
Number of reflections | 3608 | ||
<I/σ(I)> | 9.4 | 19.7 | 4.4 |
Completeness [%] | 99.8 | 94.5 | 100 |
Redundancy | 3 | 3.1 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1 M sodium phosphate, pH 5.5, 10% w/v PEG6000, cryoprotectant: mother liquor + 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |