9UB9
Wild-type Bacillus megaterium Penicillin G Acylase
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 | 2007-08-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.726, 77.475, 84.170 |
| Unit cell angles | 90.00, 100.63, 90.00 |
Refinement procedure
| Resolution | 30.940 - 1.920 |
| R-factor | 0.1577 |
| Rwork | 0.156 |
| R-free | 0.19280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pnm |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.103 |
| 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 | 1.990 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.067 | 0.381 |
| Number of reflections | 55806 | 4763 |
| <I/σ(I)> | 24.88 | |
| Completeness [%] | 96.6 | 85.9 |
| Redundancy | 6.9 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.125 M NaCl, 29% w/v PEG 4000, and 0.1 M HEPES (pH 7.5) |
