5VWQ
E.coli Aspartate aminotransferase-(1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 273 |
| Detector technology | CCD |
| Collection date | 2008-06-09 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 |
| Unit cell lengths | 78.897, 84.904, 88.029 |
| Unit cell angles | 118.83, 90.10, 89.59 |
Refinement procedure
| Resolution | 29.394 - 1.800 |
| R-factor | 0.1639 |
| Rwork | 0.162 |
| R-free | 0.19240 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.494 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.061 | 0.035 | 0.400 |
| Total number of observations | 676385 | ||
| Number of reflections | 178845 | ||
| <I/σ(I)> | 11.9 | ||
| Completeness [%] | 97.0 | 98.6 | 93.4 |
| Redundancy | 3.8 | 3.9 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 25 mM potassium phosphate and 43% saturated ammonium sulfate |
