2GMW
Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-10-30 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.904, 63.977, 103.324 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.500 |
R-factor | 0.16529 |
Rwork | 0.163 |
R-free | 0.21236 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.384 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | d*TREK |
Phasing software | PHENIX |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.190 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.031 | 0.253 |
Number of reflections | 54729 | |
<I/σ(I)> | 22.7 | 4.4 |
Completeness [%] | 98.0 | 93.1 |
Redundancy | 5.47 | 3.34 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 25% PEG 3350, 0.1M Tris, 0.005M DTT, 0.025M sodium chloride, 11% glyceol, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |