4U7W
The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9775 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.106, 159.050, 51.184 |
Unit cell angles | 90.00, 106.14, 90.00 |
Refinement procedure
Resolution | 41.820 - 1.899 |
R-factor | 0.1617 |
Rwork | 0.158 |
R-free | 0.20340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | MAD data set of the same MxaA Reductase construct |
RMSD bond length | 0.008 |
RMSD bond angle | 0.976 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 1.840 | 1.900 |
Rmerge | 0.211 | 0.540 |
Number of reflections | 61578 | |
<I/σ(I)> | 9.3 | 3.93 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.2 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 300 | 0.22M Ammonium Acetate, 28% PEG 3350, 0.1M Hepes pH.7.7 |