8RLJ
Structure of the apo form of PIB-1 in an Orthorombic space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.040248 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.760, 100.821, 269.665 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.550 - 2.450 |
R-factor | 0.2227 |
Rwork | 0.222 |
R-free | 0.27050 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.112 |
Data reduction software | autoPROC |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_4746) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.550 | 2.600 |
High resolution limit [Å] | 2.450 | 2.450 |
Number of reflections | 78813 | 12543 |
<I/σ(I)> | 5.82 | 0.86 |
Completeness [%] | 99.8 | 35.6 |
Redundancy | 6.7 | 6.89 |
CC(1/2) | 0.987 | 0.994 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.1 M TRIS-HCl buffer at pH 8.6 containing 17.5% PEG 4000 and 0.2 M CaCl2 |