8RLK
Structure of the apo form of PIB-1 in an Orthorombic space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.283680 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.890, 101.452, 267.758 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.440 - 2.000 |
| R-factor | 0.1919 |
| Rwork | 0.191 |
| R-free | 0.23530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.018 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_4746) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.440 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 145980 | 23145 |
| <I/σ(I)> | 11.08 | 10.7 |
| Completeness [%] | 99.6 | 99 |
| Redundancy | 10.64 | |
| CC(1/2) | 0.997 | 0.683 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.1 M sodium cacodylate buffer at pH 6.5 containing 20% PEG 1000 and 0.2 M MgCl2 |
