4R54
Complex crystal structure of sp-Aspartate-Semialdehyde-Dehydrogenase with 3-carboxy-ethyl-phthalic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.537, 98.806, 64.098 |
| Unit cell angles | 90.00, 101.16, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.810 |
| R-factor | 0.18565 |
| Rwork | 0.184 |
| R-free | 0.21946 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4r3n |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.377 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.870 |
| High resolution limit [Å] | 1.800 | 3.900 | 1.810 |
| Number of reflections | 65575 | ||
| <I/σ(I)> | 26 | ||
| Completeness [%] | 99.0 | 99.5 | 97.3 |
| Redundancy | 4.6 | 4.5 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 15-22% PEG 3350, 0.1 M Na-acetate, 0.1 M MES (pH 6.5), 10 mM TCEP, 3% Ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
