5I7N
MaoC-like dehydratase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 83.320, 83.320, 124.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.772 - 1.650 |
R-factor | 0.1625 |
Rwork | 0.161 |
R-free | 0.19060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4v12 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.761 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.690 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.086 | |
Number of reflections | 52624 | |
<I/σ(I)> | 15.5 | 2.12 |
Completeness [%] | 98.6 | 97.6 |
Redundancy | 6.4 | 6.58 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1 M Tris-HCl pH8.5, 2.8 M AmSO4, 1mM trans-2-dodecanoyl-CoA |