4ZK2
Structure of Acetobacter aceti PurE-S57D
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-24 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 99.703, 99.703, 165.606 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.852 - 2.749 |
| R-factor | 0.1747 |
| Rwork | 0.172 |
| R-free | 0.22050 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4YCB chain A |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.123 |
| 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 | 2.800 |
| High resolution limit [Å] | 2.749 | 2.749 |
| Rmerge | 0.117 | 0.738 |
| Number of reflections | 11198 | |
| <I/σ(I)> | 23.3 | |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 11.1 | 10.9 |
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 |
