4TNU
Human brain aspartoacylase mutant Y231C 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 | 2014-04-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.283 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 147.959, 147.959, 103.456 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.880 - 2.900 |
| R-factor | 0.19913 |
| Rwork | 0.197 |
| R-free | 0.23473 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o4h |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.299 |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.142 | 0.740 |
| Number of reflections | 25970 | |
| <I/σ(I)> | 10.7 | 2.1 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 4.7 | 4.6 |
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 |
