4J48
Crystal structure of XIAP-BIR2 domain with AMRV bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 345 mm plate |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 74.805, 74.805, 109.123 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.700 - 2.100 |
R-factor | 0.18605 |
Rwork | 0.183 |
R-free | 0.25335 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4j3y |
RMSD bond length | 0.016 |
RMSD bond angle | 1.620 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.139 | 0.427 |
Number of reflections | 9105 | |
<I/σ(I)> | 10.7 | 1.9 |
Completeness [%] | 97.0 | 80.11 |
Redundancy | 7.6 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | 1.7-1.9 M ammonium sulfate, 125 mM bis-tris propane, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 292K |