4YFB
Structure of N-acylhomoserine lactone acylase MacQ in complex with phenylacetic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-06 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 102.472, 139.026, 122.001 |
| Unit cell angles | 90.00, 111.06, 90.00 |
Refinement procedure
| Resolution | 25.140 - 1.750 |
| R-factor | 0.16221 |
| Rwork | 0.161 |
| R-free | 0.19344 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB code 2wyb |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.962 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.081 | 0.539 |
| Number of reflections | 319483 | |
| <I/σ(I)> | 16.29 | 3.18 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Tris-HCl, calcium acetate, PEG 3350 |
