3F7G
Structure of the BIR domain from ML-IAP bound to a peptidomimetic
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-11-19 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 32 |
| Unit cell lengths | 84.016, 84.016, 94.476 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.16916 |
| Rwork | 0.167 |
| R-free | 0.20877 |
| Structure solution method | difference Fourier |
| Starting model (for MR) | 1oxn |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.065 |
| 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] | 30.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.061 | 0.431 |
| Number of reflections | 32773 | |
| <I/σ(I)> | 11.8 | 1.9 |
| Completeness [%] | 98.9 | 98.3 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | SODIUM ACETATE, PEG 300, DTT, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
