4YFA
Structure of N-acylhomoserine lactone acylase MacQ in complex with decanoic 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 |
| Unit cell lengths | 85.408, 89.851, 122.710 |
| Unit cell angles | 103.26, 104.84, 106.05 |
Refinement procedure
| Resolution | 38.940 - 2.200 |
| R-factor | 0.19559 |
| Rwork | 0.193 |
| R-free | 0.23508 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wyb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.179 |
| 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 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.083 | 0.735 |
| Number of reflections | 159207 | |
| <I/σ(I)> | 23.4 | 2.3 |
| Completeness [%] | 98.3 | 97.3 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Tris-HCl, calcium acetate, PEG 3350 |
