5VWR
E.coli Aspartate aminotransferase-(1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP)-alpha-ketoglutarate
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] | 273 |
Detector technology | CCD |
Collection date | 2016-02-25 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 84.400, 155.521, 77.409 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.744 - 1.720 |
R-factor | 0.1678 |
Rwork | 0.167 |
R-free | 0.19040 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.138 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
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 | 1.750 |
High resolution limit [Å] | 1.720 | 4.670 | 1.720 |
Rmerge | 0.052 | 0.022 | 0.997 |
Rmeas | 0.056 | 0.025 | |
Rpim | 0.027 | 0.012 | 0.530 |
Total number of observations | 240049 | ||
Number of reflections | 55946 | ||
<I/σ(I)> | 10.9 | ||
Completeness [%] | 99.7 | 96.6 | 99.5 |
Redundancy | 4.3 | 4 | 4 |
CC(1/2) | 0.998 | 0.701 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 25 mM potassium phosphate, 43% saturated ammonium sulfate |