3GW7
Crystal structure of a metal-dependent phosphohydrolase with conserved HD domain (yedJ) from Escherichia coli in complex with nickel ions. Northeast Structural Genomics Consortium Target ER63
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 63 |
| Unit cell lengths | 99.408, 99.408, 130.629 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 3.300 |
| R-factor | 0.263 |
| Rwork | 0.260 |
| R-free | 0.29400 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.420 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.054 | 0.338 |
| Number of reflections | 21299 | |
| <I/σ(I)> | 24.13 | 2.32 |
| Completeness [%] | 97.4 | 91.3 |
| Redundancy | 3.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5. Reservoir solution: 100mM Tris-HCl, 1M Lithium sulfate, 10mM Nickel chloride, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
