8HSK
Insulin single mutant INS-Q
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
Synchrotron site | RRCAT INDUS-2 |
Beamline | PX-BL21 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2022-05-12 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.978 |
Spacegroup name | I 21 3 |
Unit cell lengths | 78.380, 78.380, 78.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.798 - 1.640 |
Rwork | 0.153 |
R-free | 0.16480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 2.632 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.800 | 1.730 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmeas | 0.117 | 0.757 |
Rpim | 0.030 | 0.201 |
Total number of observations | 18793 | |
Number of reflections | 9939 | 1387 |
<I/σ(I)> | 18.8 | 3.9 |
Completeness [%] | 99.5 | |
Redundancy | 15.3 | 13.5 |
CC(1/2) | 0.999 | 0.858 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2M Ammonium sulphate, 0.1M MES monohydrate, 30% w/v PEG MME |