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 |