3MWD
Truncated Human ATP-Citrate Lyase with Citrate Bound
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.98055, 0.9808 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 169.197, 61.704, 109.421 |
| Unit cell angles | 90.00, 125.00, 90.00 |
Refinement procedure
| Resolution | 44.820 - 2.100 |
| R-factor | 0.194 |
| Rwork | 0.191 |
| R-free | 0.22900 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.058 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.340 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.095 | 0.461 |
| Number of reflections | 54277 | |
| <I/σ(I)> | 8.1 | 2.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 294 | 10% (w/v) PEG 3350, 75 mM potassium citrate, 100 mM Tris-HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
