4FVT
Human SIRT3 bound to Ac-ACS peptide and Carba-NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-08 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.978490 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 77.430, 131.050, 77.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.720 - 2.470 |
R-factor | 0.2044 |
Rwork | 0.202 |
R-free | 0.24889 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.316 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.720 | 2.530 |
High resolution limit [Å] | 2.470 | 2.470 |
Number of reflections | 13699 | |
Completeness [%] | 99.8 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 291 | 0.2M lithium sulfate monohydrate, 15% (w/v) poly-ethylene glycol (PEG) 12000, and 0.1 M Bis-Tris, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K |