6VZ9
Structure of proline utilization A with the FAD covalently modified by L-thiazolidine-2-carboxylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2020-02-11 |
| Detector | RDI CMOS_8M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 100.961, 102.104, 126.379 |
| Unit cell angles | 90.00, 106.35, 90.00 |
Refinement procedure
| Resolution | 48.440 - 1.520 |
| R-factor | 0.181 |
| Rwork | 0.180 |
| R-free | 0.20700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5kf6 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.440 | 1.550 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.077 | 1.377 |
| Rmeas | 0.091 | 1.663 |
| Rpim | 0.048 | 0.916 |
| Total number of observations | 1321174 | 53582 |
| Number of reflections | 708036 | 17048 |
| <I/σ(I)> | 10.9 | 0.7 |
| Completeness [%] | 99.1 | 91.5 |
| Redundancy | 3.5 | 3.1 |
| CC(1/2) | 0.998 | 0.354 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 286 | 20% PEG-3350, 0.2M AMMONIUM SULFATE, REMARK 280 0.1M MGCL2, 0.1M HEPES, 0.1M NA FORMATE, 10MM NAD+, 50MM thiazolidine-2-carboxylate, PH 8.0 |
