1PT8
Crystal structure of the yfdW gene product of E. coli, in complex with oxalate and acetyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-04-09 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.979257 |
| Spacegroup name | P 62 |
| Unit cell lengths | 146.786, 146.786, 129.905 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.18251 |
| Rwork | 0.181 |
| R-free | 0.20400 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Apo-form |
| RMSD bond length | 0.016 * |
| RMSD bond angle | 1.600 * |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.114 * | 0.030 * |
| Number of reflections | 79388 | |
| <I/σ(I)> | 3.9 | 3 |
| Completeness [%] | 98.7 | 98.3 |
| Redundancy | 4 | 0.234 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 * | 298 | PEG600, cacodylate,oxalate, acethylCoA , pH 6.5, VAPOR DIFFUSION, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 11 (mg/ml) | |
| 2 | 1 | drop | sodium HEPES | 5 (mM) | |
| 3 | 1 | drop | 150 (mM) | ||
| 4 | 1 | reservoir | ammonium phosphate | 0.9 (M) | |
| 5 | 1 | reservoir | sodium HEPES | 0.1 (M) | pH7.5 |
