4YX6
Architectural hierarchy of trans-acting enoyl reductases from polyunsaturated fatty acid and trans-AT polyketide synthases
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 105.570, 105.570, 214.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.410 - 1.860 |
R-factor | 0.1746 |
Rwork | 0.173 |
R-free | 0.19930 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.026 |
RMSD bond angle | 2.367 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (3.3.20) |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.7.009) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.710 | 50.710 | 1.980 |
High resolution limit [Å] | 1.860 | 8.540 | 1.860 |
Rmerge | 0.180 | 0.055 | 1.120 |
Rpim | 0.065 | 0.027 | 0.393 |
Total number of observations | 248741 | 5201 | 36425 |
Number of reflections | 28109 | ||
<I/σ(I)> | 10.6 | 18.9 | 3 |
Completeness [%] | 100.0 | 99 | 100 |
Redundancy | 8.8 | 5.3 | 9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20% PEG 3350 and either 0.2 M sodium nitrate or 0.2 M potassium thiocyanate. |