5TWA
Crystal structure of Geodia cydonium BHP2 in complex with Lubomirskia baicalensis Bak-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-19 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 68.311, 51.594, 107.802 |
| Unit cell angles | 90.00, 96.34, 90.00 |
Refinement procedure
| Resolution | 33.947 - 1.850 |
| R-factor | 0.2074 |
| Rwork | 0.206 |
| R-free | 0.23730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4k5b |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.625 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.11_2567: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.080 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.130 | 1.080 |
| Number of reflections | 31937 | |
| <I/σ(I)> | 8.1 | |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 28.7% (w/v) PEG 1500, 0.1 M bis-Tris chloride. Protein concentration 5mg/mL |
