2JK7
XIAP BIR3 bound to a 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 | 2004-07-14 |
Detector | MARRESEARCH |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 115.760, 115.760, 61.790 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 6.000 - 2.820 |
R-factor | 0.229 |
Rwork | 0.229 |
R-free | 0.27600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | UNPUBLISHED STRUCTURE IN LAB |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.070 | 0.300 |
Number of reflections | 6181 | |
<I/σ(I)> | 20 | 3 |
Completeness [%] | 99.3 | 100 |
Redundancy | 9 | 9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 20% POLYETHYLENE GLYCOL 8000 0.2M MGCL2 0.1M TRIS, PH 8.5 |