6E12
Crystal Structure of the Alr8543 protein in complex with Oleic Acid and magnesium ion from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR141
Replaces: 3KB4Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4C |
Synchrotron site | NSLS |
Beamline | X4C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-14 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97885 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 113.308, 112.918, 167.766 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.536 - 2.400 |
R-factor | 0.1743 |
Rwork | 0.172 |
R-free | 0.19900 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.913 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.536 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.056 | 0.250 |
Number of reflections | 39307 | 7913 |
<I/σ(I)> | 19.1 | 3.6 |
Completeness [%] | 92.8 | 96.6 |
Redundancy | 2.6 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5 | 277 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5). Reservoir solution: 100mM Citric Acid (pH 5) and 1.6M (NH4)2SO4, microbatch under oil, temperature 277K |