1YTM
Crystal structure of phosphoenolpyruvate carboxykinase of Anaerobiospirillum succiniciproducens complexed with ATP, oxalate, magnesium and manganese ions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-ID-B |
Synchrotron site | APS |
Beamline | 14-ID-B |
Temperature [K] | 105 |
Detector technology | CCD |
Collection date | 2003-03-30 |
Detector | MARRESEARCH |
Wavelength(s) | 0.900 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 194.871, 123.219, 48.463 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.221 |
Rwork | 0.215 |
R-free | 0.25130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aq2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 60877 | |
<I/σ(I)> | 19.2 | 2.4 |
Completeness [%] | 99.8 | 98.6 |
Redundancy | 7.1 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | MES, DTT, sodium citrate, PEG 4000, 2-propanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |