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 |