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 |