3BIA
Tim-4 in complex with sodium potassium tartrate
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 | 2006-03-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 67.770, 67.770, 129.090 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 2.200 |
| R-factor | 0.21857 |
| Rwork | 0.218 |
| R-free | 0.23782 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | TIM-2 HOMOLOGOUS MODEL |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.103 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.063 | 0.302 |
| Number of reflections | 11714 | |
| <I/σ(I)> | 9.5 | 2.5 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 19.7 | 15.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.1 M Hepes, 0.8 M potassium sodium tartrate tetrahydrate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
