4YCD
Structure of a single tryptophan mutant of Acetobacter aceti PurE with Y154F
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 100.336, 100.336, 165.712 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.389 - 1.643 |
| R-factor | 0.1379 |
| Rwork | 0.137 |
| R-free | 0.15670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ycb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.230 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.389 | 1.680 |
| High resolution limit [Å] | 1.628 | 1.650 |
| Rmerge | 0.064 | 0.538 |
| Number of reflections | 51530 | |
| <I/σ(I)> | 26.8 | 3.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.1 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 295 | 25% (v/v) PEG 4000, 0.1 M Tris-HCl, 0.2 M lithium sulfate |
