7KPF
NME2 bound to myristoyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-11 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 0.97911 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.727, 107.515, 115.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 78.560 - 2.230 |
Rwork | 0.190 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bbf |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13-2998-0000) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 115.080 | 115.080 | 2.250 |
High resolution limit [Å] | 2.180 | 9.260 | 2.180 |
Rmerge | 0.103 | 0.030 | |
Rmeas | 0.111 | 0.033 | |
Rpim | 0.041 | 0.013 | |
Total number of observations | 375490 | 4981 | 13826 |
Number of reflections | 52327 | 805 | 2139 |
<I/σ(I)> | 13.2 | 46.2 | |
Completeness [%] | 94.7 | 96.8 | 47.6 |
Redundancy | 7.2 | 6.2 | 6.5 |
CC(1/2) | 0.998 | 0.998 | 0.597 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | The 2 mM NME2 protein (in 30 mM HEPES pH 8, 1 mM EDTA, 1 mM DTT) was mixed at a 1:1.1 ratio with 2 mM myristoyl-CoA in water and incubated on ice for 15 min. crystallized by vapor diffusion at 20 degrees C with a well solution of 10% PEG-4000, 100 mM MgCl2, 100 mM HEPES pH 7.5 and a protein-to-well drop ratio of 1:1 |