2AF4
Phosphotransacetylase from Methanosarcina thermophila co-crystallized 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 | 2004-08-29 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | I 41 |
| Unit cell lengths | 116.488, 116.488, 127.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.147 |
| R-factor | 0.20646 |
| Rwork | 0.203 |
| R-free | 0.27228 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qzt |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.761 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.190 |
| High resolution limit [Å] | 2.147 | 2.147 |
| Rmerge | 0.066 | 0.427 |
| Number of reflections | 45391 | |
| <I/σ(I)> | 24 | 2.38 |
| Completeness [%] | 99.2 | |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | sodium citrate, HEPES, Coenzyme A, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
