7QGJ
Apo structure of BIR2 Domain of BIRC2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999998 |
Spacegroup name | H 3 |
Unit cell lengths | 87.241, 87.241, 59.625 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.810 - 1.300 |
R-factor | 0.1431 |
Rwork | 0.142 |
R-free | 0.15520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AF-Q13490-F1 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.427 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.810 | 46.810 | 1.320 |
High resolution limit [Å] | 1.300 | 7.000 | 1.300 |
Rmerge | 0.070 | 0.093 | 0.849 |
Rmeas | 0.080 | 0.114 | 0.973 |
Rpim | 0.038 | 0.063 | 0.464 |
Total number of observations | 206199 | 550 | 8898 |
Number of reflections | 41245 | 213 | 2119 |
<I/σ(I)> | 13.1 | 22.4 | 1.8 |
Completeness [%] | 99.0 | 79.5 | 98 |
Redundancy | 5 | 2.6 | 4.2 |
CC(1/2) | 0.989 | 0.918 | 0.823 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 8 mg/mL protein 23% PEG Smear broad, 0.1 Na/K tartrate, 12 % Ethylenglycol, cacodylate pH 5.5 |