3BIB
Tim-4 in complex with phosphatidylserine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97925 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 66.260, 66.260, 139.390 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 15.000 - 2.500 |
R-factor | 0.22082 |
Rwork | 0.219 |
R-free | 0.24831 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | TIM-2 HOMOLOGOUS MODEL |
RMSD bond length | 0.008 |
RMSD bond angle | 1.114 |
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 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.057 | 0.168 |
Number of reflections | 6799 | |
<I/σ(I)> | 9.3 | 4.4 |
Completeness [%] | 99.9 | 100 |
Redundancy | 11 | 10.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 294 | 0.1 M SODIUM CITRATE, 10 % JEFFAMINE, 10 mM FeCl3. PROTEIN PRE-INCUBATED WITH 5 mM 1,2 DICAPROYL-sn-GLYCERO-3-(PHOSPHO-L-SERINE) AND 5 mM CaCl2, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 294K |