4EWX
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] | 293 |
Detector technology | CCD |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | H 3 |
Unit cell lengths | 81.960, 81.960, 33.750 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.980 - 2.201 |
R-factor | 0.1605 |
Rwork | 0.154 |
R-free | 0.23970 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.225 |
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] | 40.980 | 20.490 | 2.320 |
High resolution limit [Å] | 2.201 | 6.960 | 2.201 |
Rmerge | 0.027 | 0.139 | |
Total number of observations | 393 | 1442 | |
Number of reflections | 3848 | ||
<I/σ(I)> | 14.6 | 22.9 | 3.7 |
Completeness [%] | 89.6 | 86.7 | 73.6 |
Redundancy | 3.3 | 3.3 | 3.1 |
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 |