4NFR
Human brain aspartoacylase mutant E285A complex with intermediate analog (N-phosphonomethyl-L-aspartate)
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 | 2013-07-29 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 147.736, 147.736, 102.738 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.760 - 3.000 |
| R-factor | 0.19344 |
| Rwork | 0.191 |
| R-free | 0.24052 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2o4h |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.148 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.101 | 0.188 |
| Number of reflections | 17286 | |
| <I/σ(I)> | 9.4 | 3 |
| Completeness [%] | 90.0 | 90 |
| Redundancy | 2.6 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 14% PEG 3350, 0.05M sodium citrate, 0.3M potassium phosphate (dibasic), 3% ethylene glycol, 0.01M DTT, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
