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 |