4P10
pro-carboxypeptidase U In Complex With 5-(3-aminopropyl)-1-propyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-28 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.576, 49.243, 95.048 |
| Unit cell angles | 90.00, 93.12, 90.00 |
Refinement procedure
| Resolution | 94.910 - 2.000 |
| R-factor | 0.18572 |
| Rwork | 0.184 |
| R-free | 0.21812 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zg7 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.741 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.309 | |
| Number of reflections | 30908 | |
| <I/σ(I)> | 7.1 | 2.7 |
| Completeness [%] | 99.1 | 98.5 |
| Redundancy | 4.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Crystallisation was done using the hanging drop method equilibrating over a well solution containing 10% (w/v) PEG20k, 2% dioxane and 0.1M bicine pH 9.0. Crystals were then soaked in well solution supplemented with 1 mM compound |
