6Q62
Xanthomonas albilineans Dihydropteroate synthase in complex with (indole-2-carboxylic acid) and (6-chloroguanine)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2018-02-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.382, 74.553, 89.299 |
| Unit cell angles | 90.00, 101.21, 90.00 |
Refinement procedure
| Resolution | 42.090 - 1.500 |
| R-factor | 0.213 |
| Rwork | 0.211 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6day |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.000 | 1.657 |
| High resolution limit [Å] | 1.500 | 1.600 |
| Rmerge | 0.088 | |
| Rmeas | 0.095 | |
| Rpim | 0.036 | |
| Number of reflections | 137050 | 5075 |
| <I/σ(I)> | 12.14 | 1.39 |
| Completeness [%] | 81.8 | 36.32 |
| Redundancy | 6.9 | 6.5 |
| CC(1/2) | 0.997 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | PEG 3.350, Li2SO4, Bis-tris |
