2O4H
Human brain aspartoacylase complex with intermediate analog (N-phosphonomethyl-L-aspartate)
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] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.28300 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 143.081, 143.081, 104.604 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.470 - 2.700 |
| R-factor | 0.20544 |
| Rwork | 0.202 |
| R-free | 0.27138 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2i3c |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.639 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 27490 | |
| <I/σ(I)> | 20.7 | 2.9 |
| Completeness [%] | 95.3 | 62.7 |
| Redundancy | 10.7 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 8-10 mg/ml Protein, 50 mM Sodium citrate pH 6.0, 300 mM K2HPO4, 15-19% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
