2CFH
Structure of the Bet3-TPC6B core of TRAPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 110 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 69.450, 69.590, 144.006 |
| Unit cell angles | 90.00, 91.55, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.223 |
| Rwork | 0.221 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 2BJN 1sz7 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.556 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.440 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.050 | 0.340 |
| Number of reflections | 29365 | |
| <I/σ(I)> | 13.76 | 3.7 |
| Completeness [%] | 95.6 | 90.1 |
| Redundancy | 3.46 | 3.46 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 18-20% PEG 3500,0.2 M LI CITRATE |
