3ML0
Thermostable Penicillin G acylase from Alcaligenes faecalis in tetragonal form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 295 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-04-07 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.514 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 85.558, 85.558, 298.804 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.500 |
| R-factor | 0.269 |
| Rwork | 0.269 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gk9 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.724 |
| 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] | 82.200 | 3.590 |
| High resolution limit [Å] | 3.500 | 3.499 |
| Rmerge | 0.099 | 0.239 |
| Number of reflections | 14860 | |
| <I/σ(I)> | 7.42 | 3.08 |
| Completeness [%] | 90.8 | 89.67 |
| Redundancy | 2.25 | 2.01 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 303 | 15% PEG 8000, 0.1M Tris-Hcl pH7.5, 100uL b-octyl-glucopyranoside (0.50% w/v), vapor diffusion, hanging drop, temperature 303K |
