3GTA
Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-01-21 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 87.480, 87.480, 74.027 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.700 |
R-factor | 0.15273 |
Rwork | 0.152 |
R-free | 0.16942 |
Structure solution method | difference fourier |
Starting model (for MR) | 1.3 A STRUCTURE OF THE ML-IAP/XIAP PROTEIN BOUND TO A DIFFERENT PEPTIDOMIMETIC WITH THE LIGAND AND SURROUNDING WATERS REMOVED |
RMSD bond length | 0.010 |
RMSD bond angle | 1.102 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.059 | 0.423 |
Number of reflections | 34507 | |
<I/σ(I)> | 28 | 2.3 |
Completeness [%] | 98.0 | 85.3 |
Redundancy | 7.3 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | LITHIUM SULFATE, PEG 3350, BIS-TRIS, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |