4EWZ
Human Insulin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE D03B-MX1 |
Synchrotron site | LNLS |
Beamline | D03B-MX1 |
Detector technology | CCD |
Detector | MAR CCD 165 mm |
Spacegroup name | H 3 |
Unit cell lengths | 80.660, 80.660, 33.230 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.670 - 1.791 |
R-factor | 0.2122 |
Rwork | 0.208 |
R-free | 0.26860 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.876 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.330 | 20.672 | 1.890 |
High resolution limit [Å] | 1.791 | 5.660 | 1.791 |
Rmerge | 0.044 | 0.346 | |
Total number of observations | 730 | 3220 | |
Number of reflections | 7584 | ||
<I/σ(I)> | 7.4 | 14.5 | 1.7 |
Completeness [%] | 99.9 | 97 | 99.9 |
Redundancy | 3 | 3.1 | 2.9 |
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 (Betalin H, lot # 310996-1), cryoprotectant: mother liquor + 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |