4U9V
Crystal structure of NatD (Naa40p) bound to acetyl CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.256, 44.064, 50.356 |
Unit cell angles | 90.00, 95.44, 90.00 |
Refinement procedure
Resolution | 43.929 - 1.780 |
R-factor | 0.1693 |
Rwork | 0.167 |
R-free | 0.20630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ua3 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.126 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.840 |
High resolution limit [Å] | 1.780 | 3.830 | 1.780 |
Rmerge | 0.074 | 0.035 | 0.471 |
Total number of observations | 150300 | ||
Number of reflections | 18521 | ||
<I/σ(I)> | 7 | ||
Completeness [%] | 98.5 | 100 | 87.5 |
Redundancy | 8.1 | 9 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 20% PEG 3350, 100 mM sodium citrate tribasic dihydrate, 100 mM citric acid |