4BS9
Structure of the heterocyclase TruD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 138.270, 138.270, 280.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.430 - 2.900 |
| R-factor | 0.18741 |
| Rwork | 0.185 |
| R-free | 0.23662 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.343 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX (AUTOSOL) |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.770 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.130 | 0.570 |
| Number of reflections | 26506 | |
| <I/σ(I)> | 6.4 | 1.9 |
| Completeness [%] | 93.0 | 95.1 |
| Redundancy | 5.3 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
