2B4K
Acetobacter turbidans alpha-amino acid ester hydrolase complexed with phenylglycine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 340.909, 340.909, 340.909 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 3.300 |
| R-factor | 0.25933 |
| Rwork | 0.258 |
| R-free | 0.28934 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nx9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.954 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.186 | 0.917 |
| Number of reflections | 121384 | |
| Completeness [%] | 93.2 | 91.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | sodium citrate, PEG4000, phenylglycine, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
