3SXM
Metal-free FCD domain of TM0439 a putative transcriptional regulator
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2010-04-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97740 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.471, 79.558, 49.379 |
| Unit cell angles | 90.00, 113.84, 90.00 |
Refinement procedure
| Resolution | 41.591 - 1.550 |
| R-factor | 0.1702 |
| Rwork | 0.170 |
| R-free | 0.19170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB: 3FMS CHAIN A: 72-111 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.645 |
| 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] | 45.000 | 45.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
| Rmerge | 0.059 | 0.043 | 0.269 |
| Number of reflections | 46079 | ||
| <I/σ(I)> | 18.1 | ||
| Completeness [%] | 98.7 | 99.7 | 83.5 |
| Redundancy | 4 | 4.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 50 mM Tris pH 8.0, 100 mM NaCl, 200 mM (NH4)2SO4, 100 mM BisTris pH 5.5, 25% PEG 3350, 10 mM EDTA, 2 mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
