3PFF
Truncated human atp-citrate lyase with ADP and tartrate bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-02 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 167.540, 61.700, 107.980 |
Unit cell angles | 90.00, 125.47, 90.00 |
Refinement procedure
Resolution | 43.970 - 2.300 |
R-factor | 0.1713 |
Rwork | 0.168 |
R-free | 0.22750 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | PDB ENTRIES: 3MWD 3mwe |
RMSD bond length | 0.007 |
RMSD bond angle | 1.063 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.970 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.084 | 0.441 |
Number of reflections | 39343 | |
<I/σ(I)> | 11.7 | 2.9 |
Completeness [%] | 97.9 | 92.8 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 12.5% polyethylene glycol 3350, 125 mM sodium tartrate, 100 mM Tris-HCl, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 294K |