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 |