3K9R
X-ray structure of the Rhodanese-like domain of the Alr3790 protein from Anabaena sp. Northeast Structural Genomics Consortium Target NsR437c.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-09 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9787 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.286, 78.894, 64.767 |
Unit cell angles | 90.00, 103.09, 90.00 |
Refinement procedure
Resolution | 36.320 - 1.960 |
R-factor | 0.203 |
Rwork | 0.203 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ilm |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.088 | 0.283 |
Number of reflections | 49871 | |
<I/σ(I)> | 14.6 | 3.5 |
Completeness [%] | 94.3 | 94.1 |
Redundancy | 2.7 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH UNDER PARAFIN OIL | 4.5 | 291 | 25% PEG 3350, 0.1M sodium acetate, pH 4.5, MICROBATCH UNDER PARAFIN OIL, temperature 291K |