3ENJ
Structure of Pig Heart Citrate Synthase at 1.78 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-10 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 76.340, 76.340, 198.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.560 - 1.780 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.22200 |
| Structure solution method | DIRECT PLACEMENT IN SAME UNIT CELL |
| Starting model (for MR) | 1cts |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.495 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.560 | 1.780 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.072 | 0.646 |
| Number of reflections | 56320 | |
| <I/σ(I)> | 7.3 | 1.4 |
| Completeness [%] | 89.2 | 100 |
| Redundancy | 6.35 | 6.07 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.2 | 295 | 25% PEG 3350 in H2O in the presence of cystamine HCl, aspartame, benzamidine HCl and Tris-HCl buffer, pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
