9E5W
Proline utilization A (PutA) from Sinorhizobium meliloti inactivated by N-propargylglycine
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) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 100.848, 101.967, 126.567 |
| Unit cell angles | 90.00, 106.50, 90.00 |
Refinement procedure
| Resolution | 47.000 - 1.520 |
| R-factor | 0.1916 |
| Rwork | 0.191 |
| R-free | 0.21080 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.842 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21rc1_5156) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 1.550 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.073 | 1.256 |
| Rmeas | 0.086 | 1.525 |
| Rpim | 0.045 | 0.849 |
| Total number of observations | 52980 | |
| Number of reflections | 686872 | 17429 |
| <I/σ(I)> | 9.1 | 0.7 |
| Completeness [%] | 98.3 | |
| Redundancy | 3.5 | 3 |
| CC(1/2) | 0.998 | 0.377 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 286 | 19% PEG-3350, 0.2 M ammonium sulfate, 0.1 M magnesium chloride, 0.1 M HEPES (pH 8.0), and 0.1 M sodium formate; Cryobuffer: reservoir supplemented with 15 % PEG-200 |
