3C72
Engineered RabGGTase in complex with a peptidomimetic inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-17 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9797 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.192, 91.671, 115.439 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.880 - 2.300 |
R-factor | 0.19242 |
Rwork | 0.189 |
R-free | 0.25617 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ltx |
RMSD bond length | 0.019 |
RMSD bond angle | 1.622 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 31830 | |
<I/σ(I)> | 20 | 4.7 |
Completeness [%] | 99.7 | 100 |
Redundancy | 5.7 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 284 | 14% (w/v) PEG 3350, 0.2 M Ca-Acetate, 0.1 M HEPES, cocrystallization with 5 mM inhibitor, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 284K |