5CO2
Crystalization of human zinc insulin at pH 5.5
Experimental procedure
Experimental method | MAD |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-09-11 |
Detector | AGILENT TITAN CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 |
Unit cell lengths | 81.283, 81.283, 33.640 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 14.560 - 1.700 |
R-factor | 0.1697 |
Rwork | 0.167 |
R-free | 0.21720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.841 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless (0.1.26) |
Phasing software | MOLREP (11.0.05) |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 14.560 | 14.560 | 1.530 |
High resolution limit [Å] | 1.500 | 7.940 | 1.500 |
Rmerge | 0.042 | 0.021 | 0.608 |
Rpim | 0.034 | 0.016 | 0.608 |
Total number of observations | 23106 | 162 | 805 |
Number of reflections | 13078 | ||
<I/σ(I)> | 10 | 79.3 | 0.9 |
Completeness [%] | 98.5 | 75.5 | 94.6 |
Redundancy | 1.8 | 2.3 | 1.2 |
CC(1/2) | 0.997 | 0.999 | 0.488 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 2 mcL protein (6 mg/mL in 2 mM HCl) + 2 mcL well solution (0.1 M Na2HPO4 pH 5.5, 10 % m/v PEG 6,000) |