6V43
Crystal structure of the flavin oxygenase with cofactor and substrate bound involved in folate catabolism
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2018-11-07 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.560, 125.380, 127.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.940 - 1.770 |
| R-factor | 0.1628 |
| Rwork | 0.161 |
| R-free | 0.20230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6v42 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.951 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 61.560 | 61.560 | 1.800 |
| High resolution limit [Å] | 1.770 | 9.720 | 1.770 |
| Rmerge | 0.190 | 0.216 | 0.993 |
| Rmeas | 0.206 | 0.246 | 1.106 |
| Rpim | 0.079 | 0.112 | 0.473 |
| Total number of observations | 581841 | 2786 | 18295 |
| Number of reflections | 90846 | 699 | 3646 |
| <I/σ(I)> | 6.1 | 5.6 | 1.4 |
| Completeness [%] | 94.8 | 99.8 | 78.2 |
| Redundancy | 6.4 | 4 | 5 |
| CC(1/2) | 0.971 | 0.923 | 0.605 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1M TRIS hydrochloride pH 8.5, 2.0M ammonium sulfate |
