4RE5
Acylaminoacyl peptidase complexed with a chloromethylketone inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-11-15 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.813, 104.430, 170.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.930 - 1.900 |
| R-factor | 0.17902 |
| Rwork | 0.177 |
| R-free | 0.21810 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2hu5 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.720 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.062 | 0.682 |
| Number of reflections | 90022 | 6591 |
| <I/σ(I)> | 17.58 | 2.27 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.93 | 3.81 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 78 mM sodium acetate buffer, 2.4% w/v PEG Mw4000, 6.7mM dithiothreitol and 0.44 mM EDTA. The protein was co-crystallized with the inhibitor., pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
