2AF3
Phosphotransacetylase from Methanosarcina thermophila soaked with Coenzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-05-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | I 41 |
| Unit cell lengths | 114.469, 114.469, 127.832 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.21915 |
| Rwork | 0.215 |
| R-free | 0.29017 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qzt |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.610 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.066 | 0.725 |
| Number of reflections | 23999 | |
| <I/σ(I)> | 26.7 | 3.2 |
| Completeness [%] | 91.4 | |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 291 | ammonium sulfate, sodium acetate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
