2QRA
Crystal structure of XIAP BIR1 domain (P21 form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4C |
Synchrotron site | NSLS |
Beamline | X4C |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 2002-02-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97899 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.563, 72.983, 68.904 |
Unit cell angles | 90.00, 95.69, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
Rwork | 0.196 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2poi |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.760 | 2.500 |
Rmerge | 0.041 | 0.031 | 0.097 |
Number of reflections | 12816 | ||
<I/σ(I)> | 33.5 | ||
Completeness [%] | 97.9 | 95.2 | 75.3 |
Redundancy | 3.46 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 15% ethanol, 100mM sodium citrate, 200mM Li2SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |