3SXY
Metal-free full-length structure of Tm0439, a metal-binding FCD family transcriptional regulator
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2009-12-01 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.512, 69.822, 63.980 |
Unit cell angles | 90.00, 95.44, 90.00 |
Refinement procedure
Resolution | 34.650 - 1.647 |
R-factor | 0.177 |
Rwork | 0.177 |
R-free | 0.17980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdb: 3fms Chain A 6-211 |
RMSD bond length | 0.023 |
RMSD bond angle | 1.704 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_817) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.000 | 43.000 | 1.740 |
High resolution limit [Å] | 1.700 | 4.190 | 1.700 |
Rmerge | 0.077 | 0.066 | 0.507 |
Number of reflections | 56675 | ||
<I/σ(I)> | 12.28 | ||
Completeness [%] | 99.7 | 97.7 | 99.8 |
Redundancy | 3.3 | 3.2 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 50 mM Tris pH 8.0, 300 mM NaCl, 17% PEG 3350, 200 mM NH4NO3, 10mM EDTA, 2mM DTT, vapor diffusion, sitting drop, temperature 298K |