3F11
Structure of futa1 with iron(III)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-16 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 98.307, 65.703, 50.255 |
| Unit cell angles | 90.00, 102.43, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.1751 |
| Rwork | 0.175 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | FUTA1 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 20599 | |
| <I/σ(I)> | 43.7 | 20.8 |
| Completeness [%] | 92.8 | 86.8 |
| Redundancy | 4.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 100MM HEPPS, 2.2-2.8 AMMONIUM SULFATE, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
