3ZQR
NMePheB25 insulin analogue crystal structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2010-01-30 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.600, 61.837, 58.224 |
Unit cell angles | 90.00, 111.19, 90.00 |
Refinement procedure
Resolution | 54.290 - 1.900 |
R-factor | 0.22649 |
Rwork | 0.223 |
R-free | 0.28143 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ms0 |
RMSD bond length | 0.022 |
RMSD bond angle | 1.838 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.050 | 0.750 |
Number of reflections | 22062 | |
<I/σ(I)> | 16.3 | 10 |
Completeness [%] | 95.3 | 74.7 |
Redundancy | 3.2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.2 | 0.6 M NA2SO4, 0.3 M TRIS PH 8.2, 0.6 M ZN(AC)2, 0.06% PHENOL. |