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 |