3NY0
Crystal Structure of UreE from Helicobacter pylori (Ni2+ bound form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.4849 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 91.057, 91.057, 202.823 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.630 - 3.090 |
R-factor | 0.2477 |
Rwork | 0.245 |
R-free | 0.29900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3la0 |
RMSD bond length | 0.018 |
RMSD bond angle | 2.057 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.630 | 50.000 | 3.210 |
High resolution limit [Å] | 3.100 | 6.670 | 3.100 |
Rmerge | 0.096 | 0.049 | 0.293 |
Number of reflections | 14069 | ||
<I/σ(I)> | 12.7 | ||
Completeness [%] | 85.7 | 99.1 | 38.9 |
Redundancy | 10.1 | 10.8 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 13% PEG 20000, 0.1M MES pH 5.5, vapor diffusion, sitting drop, temperature 295K |