6WF5
Crystal structure of human Naa50 in complex with a truncated cofactor derived inhibitor (compound 2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2017-04-20 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.937, 52.339, 64.123 |
Unit cell angles | 90.00, 97.38, 90.00 |
Refinement procedure
Resolution | 50.520 - 2.040 |
R-factor | 0.224 |
Rwork | 0.222 |
R-free | 0.27400 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6wf3 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.130 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.590 | 2.150 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.126 | 0.723 |
Number of reflections | 21247 | 3080 |
<I/σ(I)> | 7.9 | |
Completeness [%] | 98.8 | 98.6 |
Redundancy | 3.3 | 3.3 |
CC(1/2) | 0.991 | 0.667 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 286.15 | Co-crystallization: Naa50 apo protein (14.3 mg/ml) was incubated with compound 2 in a 1:3 molar ratio on ice for 60 min. Reservoir solution containing 0.2 M ammonium sulfate and 30% (w/v) PEG 3K/4K was mixed 1:1 with protein:ligand complex |