5A5G
Crystal structure of FTHFS2 from T.acetoxydans Re1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-16 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.043, 98.118, 108.757 |
| Unit cell angles | 90.00, 101.51, 90.00 |
Refinement procedure
| Resolution | 29.660 - 2.300 |
| R-factor | 0.18707 |
| Rwork | 0.184 |
| R-free | 0.24582 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3RBO |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.119 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.640 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.050 | 0.440 |
| Number of reflections | 50934 | |
| <I/σ(I)> | 15.4 | 1.66 |
| Completeness [%] | 98.6 | 98.3 |
| Redundancy | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.24 M SODIUM-POTASSIUM TARTRATE 0.12 M BIS-TRIS PROPANE PH 6.5 16% W/V PEG 3350 THEN SEEDING UNDER OTHER CONDITIONS: 0.2 M K2SO4 0.1 M AMMONIUMACTETATE PH 6.8 20% W/V PEG 3350 |
