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 |