4YCC
Structure of a single tryptophan mutant of Acetobacter aceti PurE with Y154L mutation
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 | 99.458, 99.458, 165.567 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.729 - 2.257 |
| R-factor | 0.1298 |
| Rwork | 0.128 |
| R-free | 0.17100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4ycb |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.235 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.099 | 0.240 |
| Number of reflections | 19655 | |
| <I/σ(I)> | 37.3 | 10.6 |
| Completeness [%] | 98.8 | 99.6 |
| Redundancy | 8.1 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 295 | 30% w/v PEG 4000, 0.1 M Tris-HCl, 0.2 M lithium sulfate |
