3F4M
Crystal structure of TIPE2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-05-28 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.5 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 91.815, 91.815, 67.952 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.829 - 1.696 |
R-factor | 0.1901 |
Rwork | 0.187 |
R-free | 0.24320 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.726 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.760 |
High resolution limit [Å] | 1.696 | 1.696 |
Rmerge | 0.056 | 0.661 |
Number of reflections | 19032 | |
<I/σ(I)> | 3.2 | |
Completeness [%] | 98.8 | 99.9 |
Redundancy | 6.6 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 13% PEGMME2000, 0.23M Sodium Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 13% PEGMME2000, 0.23M Sodium Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 13% PEGMME2000, 0.23M Sodium Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |