7DE0
Crystal structure of FtmOx1 Y224F mutation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 98 |
| Detector technology | PIXEL |
| Collection date | 2018-11-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.436, 136.740, 180.628 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.728 - 2.400 |
| R-factor | 0.2179 |
| Rwork | 0.215 |
| R-free | 0.26310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y5t |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.866 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL2Map |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.160 | 2.400 |
| Rmerge | 0.123 | 0.081 | 0.429 |
| Rmeas | 0.130 | 0.085 | 0.483 |
| Rpim | 0.040 | 0.024 | 0.212 |
| Total number of observations | 356990 | ||
| Number of reflections | 45093 | 4837 | 4199 |
| <I/σ(I)> | 6.3 | ||
| Completeness [%] | 98.9 | 99.5 | 94.6 |
| Redundancy | 7.9 | 11.4 | 4.3 |
| CC(1/2) | 0.995 | 0.354 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 100 mM Bicine, 300mM MgCl2, PEG 2000 |
