1NX9
Acetobacter turbidans alpha-amino acid ester hydrolase S205A mutant complexed with ampicillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-11-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8463 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 341.828, 341.828, 341.828 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.200 |
| R-factor | 0.16618 |
| Rwork | 0.166 |
| R-free | 0.18400 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.081 * | 0.322 * |
| Number of reflections | 322911 | |
| <I/σ(I)> | 14.3 | |
| Completeness [%] | 97.2 | 84.3 * |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | PEG 4000, sodium citrate buffer, sodium ampicillin, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | reservoir | sodium cirtate | 0.3 (M) | pH5.6 |
| 3 | 1 | reservoir | PEG4000 | 13-14 (%) | |
| 4 | 1 | reservoir | sodium ampicillin | 10 (mM) |
