4EX1
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 | 80.670, 80.670, 33.210 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.330 - 1.657 |
R-factor | 0.1676 |
Rwork | 0.164 |
R-free | 0.23910 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.905 |
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] | 40.335 | 16.736 | 1.750 |
High resolution limit [Å] | 1.657 | 5.240 | 1.657 |
Rmerge | 0.042 | 0.180 | |
Total number of observations | 1604 | 7340 | |
Number of reflections | 9570 | ||
<I/σ(I)> | 17.3 | 14.2 | 3.8 |
Completeness [%] | 99.9 | 96 | 100 |
Redundancy | 5.4 | 5.5 | 5.2 |
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 |