3HL5
Crystal structure of XIAP BIR3 with CS3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.913, 39.940, 49.929 |
| Unit cell angles | 90.00, 100.00, 90.00 |
Refinement procedure
| Resolution | 49.150 - 1.800 |
| R-factor | 0.17916 |
| Rwork | 0.176 |
| R-free | 0.20932 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Chain D from PDB entry 1g73 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.126 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.075 | |
| Number of reflections | 19119 | |
| <I/σ(I)> | 14.1 | 2.8 |
| Completeness [%] | 99.3 | 94.8 |
| Redundancy | 3.5 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | drops contain 2 uL protein and 2 uL well solutions. protein solution: 4 mg/mL in 20 mM Tris pH 8.3, 200mM NaL. 2 mM CS3. well solution: 3.5 M Na Formate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
