3K3W
Thermostable Penicillin G acylase from Alcaligenes faecalis in orthorhombic form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-08-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.514 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 72.929, 86.016, 260.181 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.820 - 3.310 |
| R-factor | 0.283 |
| Rwork | 0.281 |
| R-free | 0.31500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gk9 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.875 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.823 | 3.390 |
| High resolution limit [Å] | 3.306 | 3.310 |
| Rmerge | 0.137 | 0.331 |
| Number of reflections | 12602 | |
| <I/σ(I)> | 9.23 | 4.81 |
| Completeness [%] | 99.7 | 96.8 |
| Redundancy | 5.73 | 5.07 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 303 | 15% PEG8000, 0.1M Tris-Hcl, pH7.5, 60uL of b-octyl- glucopyranoside (0.50% w/v), VAPOR DIFFUSION, HANGING DROP, temperature 303K |
