3D9U
The BIR3 domain of cIAP1 in complex with the N terminal peptide from SMAC/DIABLO (AVPIAQ).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E DW |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-07-11 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 62.983, 62.983, 115.343 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.430 - 2.300 |
| R-factor | 0.207 |
| Rwork | 0.201 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nw9 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.600 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.191 | 0.876 |
| Number of reflections | 6193 | |
| <I/σ(I)> | 20.8 | 4 |
| Completeness [%] | 95.4 | 96.8 |
| Redundancy | 15.7 | 15.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M BIS-TRIS PH 6.5, 0.2 M MGCL2, 22% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
