6WF3
Crystal structure of human Naa50 in complex with a cofactor derived inhibitor (compound 1)
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 | 2015-10-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.547, 124.170, 109.085 |
Unit cell angles | 90.00, 100.92, 90.00 |
Refinement procedure
Resolution | 53.710 - 2.291 |
R-factor | 0.2097 |
Rwork | 0.208 |
R-free | 0.24340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ob0 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.010 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.710 | 2.410 |
High resolution limit [Å] | 2.290 | 2.290 |
Rmerge | 0.057 | 0.520 |
Number of reflections | 56682 | 8301 |
<I/σ(I)> | 13 | |
Completeness [%] | 99.4 | 99.7 |
Redundancy | 3.4 | 3.3 |
CC(1/2) | 0.997 | 0.785 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 286.15 | Naa50 apo protein (14.3 mg/ml) was incubated with compound 1 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 |