4L3K
Crystal structure of Sporosarcina pasteurii UreE bound to Ni2+ and Zn2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | P 63 |
Unit cell lengths | 91.329, 91.329, 82.792 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.660 - 1.880 |
R-factor | 0.17256 |
Rwork | 0.171 |
R-free | 0.20698 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eb0 |
RMSD bond length | 0.020 |
RMSD bond angle | 2.093 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.660 | 1.980 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.069 | 0.915 |
Number of reflections | 32043 | |
<I/σ(I)> | 2.21 | |
Completeness [%] | 99.7 | 98.5 |
Redundancy | 6.6 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.06M magnesium chloride/calcium chloride, 0.1M sodium HEPES/MOPS pH 7.5, 20% ethylene glycol, 10% PEG 8K, VAPOR DIFFUSION, HANGING DROP, temperature 293K |