9UEW
Wild-type Bacillus megaterium Penicillin G Acylase with Non-Covalently Bound Phenylacetic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.995, 76.951, 82.216 |
| Unit cell angles | 90.00, 100.47, 90.00 |
Refinement procedure
| Resolution | 28.570 - 1.960 |
| R-factor | 0.144 |
| Rwork | 0.142 |
| R-free | 0.18770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pnm |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.204 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.036 | 0.144 |
| Number of reflections | 50818 | 4774 |
| <I/σ(I)> | 35.49 | |
| Completeness [%] | 97.5 | 83.5 |
| Redundancy | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 0.175 M NaCl, 30.5% w/v PEG 4000, and 0.1 M imidazole (pH 6.0) |
