1X7N
The crystal structure of Pyrococcus furiosus phosphoglucose isomerase with bound 5-phospho-D-arabinonate and Manganese
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-08-22 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 84.674, 42.382, 57.255 |
Unit cell angles | 90.00, 120.57, 90.00 |
Refinement procedure
Resolution | 49.390 - 1.890 |
R-factor | 0.1439 |
Rwork | 0.141 |
R-free | 0.21226 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1PLZ |
RMSD bond length | 0.011 |
RMSD bond angle | 1.354 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.390 | 1.940 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.052 | 0.349 |
Number of reflections | 13726 | |
<I/σ(I)> | 4.5 | 2.79 |
Completeness [%] | 97.9 | 81.3 |
Redundancy | 3 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.6M tri-sodium citrate, 50mM 5-phospho-D-arabinonate, 100mM MnCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |