1S2W
Crystal structure of phosphoenolpyruvate mutase in high ionic strength
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-BM |
Synchrotron site | APS |
Beamline | 17-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 76.632, 116.556, 72.818 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.300 - 1.690 |
R-factor | 0.183 |
Rwork | 0.178 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | code 1pym |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.750 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.043 | 0.259 |
Number of reflections | 35608 | |
<I/σ(I)> | 12.3 | |
Completeness [%] | 96.5 | 86.8 |
Redundancy | 6.47 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 314 | (NH4)2SO4, HEPES, MgCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 314K |