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 |