4WVT
Crystal structure of XIAP-BIR2 domain complexed with ligand bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-03 |
Detector | RIGAKU SATURN 92 |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 33.200, 38.530, 56.770 |
Unit cell angles | 90.00, 89.83, 90.00 |
Refinement procedure
Resolution | 25.150 - 1.960 |
R-factor | 0.1768 |
Rwork | 0.174 |
R-free | 0.23030 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.970 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.110 | 0.311 |
Number of reflections | 10044 | |
<I/σ(I)> | 12.1 | 3.7 |
Completeness [%] | 97.2 | 75.3 |
Redundancy | 3.1 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | .98 M Ammonium Sulfate and .1M Ammonium Formate. Single crystals formed after streak seeding. |