4UNE
Human insulin B26Phe mutant crystal structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23 |
Synchrotron site | ESRF |
Beamline | ID23 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-11 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.887, 45.761, 51.314 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.150 - 1.590 |
R-factor | 0.15286 |
Rwork | 0.151 |
R-free | 0.17969 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mso |
RMSD bond length | 0.023 |
RMSD bond angle | 2.118 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0033) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.620 |
High resolution limit [Å] | 1.590 | 1.590 |
Rmerge | 0.080 | 0.540 |
Number of reflections | 13606 | |
<I/σ(I)> | 20.3 | 5.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.1 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4 | 0.15 M NA2SO4, PH 4.0, CP 5 MG/ML |