2VSL
Crystal Structure of XIAP BIR3 with a Bivalent Smac Mimetic
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 32-ID |
| Synchrotron site | APS |
| Beamline | 32-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-04 |
| Detector | MARRESEARCH |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 102.478, 102.478, 65.218 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.740 - 2.100 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PREVIOUSLY SOLVED UNPUBLISHED STRUCTURE |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.740 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.060 | 0.190 |
| Number of reflections | 10431 | |
| <I/σ(I)> | 20 | 20 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 14.3 | 14.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 1.4 M NACL, 5% PEG 6000, pH 7.5 |
