6IHK
Structure of MMPA CoA ligase in complex with ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-05-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.424, 121.193, 73.559 |
Unit cell angles | 90.00, 93.68, 90.00 |
Refinement procedure
Resolution | 46.480 - 2.230 |
R-factor | 0.1755 |
Rwork | 0.173 |
R-free | 0.22290 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.043 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.480 | 2.310 |
High resolution limit [Å] | 2.230 | 2.230 |
Rmerge | 0.110 | 0.337 |
Number of reflections | 53256 | 4732 |
<I/σ(I)> | 18.41 | |
Completeness [%] | 99.6 | |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Bis-Tris propane, PEG 3350, Sodium formate |