3BI9
Tim-4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 65.270, 65.270, 57.020 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 2.950 |
| Rwork | 0.236 |
| R-free | 0.26800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | TIM-2 HOMOLOGOUS MODEL |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.763 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 3.110 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.109 | 0.272 |
| Number of reflections | 3066 | |
| <I/σ(I)> | 6.7 | 2.8 |
| Completeness [%] | 98.3 | 98.3 |
| Redundancy | 5.2 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 294 | 0.1 M Na ACETATE, 30% PEG-2000 METHYLETHER, 5% PEG-400, 0.1 M AMMONIUM SULPHATE, 100 mM O-(n-OCTYL)-PHOSPHORYLCHOLINE, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
