6OFW
Dihydropteroate synthase from Xanthomonas albilineans in complex with 7,8-dihydropteroate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2014-10-28 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.457 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 109.176, 74.405, 82.152 |
| Unit cell angles | 90.00, 126.41, 90.00 |
Refinement procedure
| Resolution | 31.080 - 1.960 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6day |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.420 | 2.040 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.040 | 0.300 |
| Rmeas | 0.040 | 0.350 |
| Rpim | 0.010 | 0.160 |
| Number of reflections | 36791 | 3103 |
| <I/σ(I)> | 29.42 | 4.17 |
| Completeness [%] | 95.6 | 81.77 |
| Redundancy | 5.8 | 4 |
| CC(1/2) | 0.990 | 0.980 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | PEG 3.350, Bis-tris, Lithium sulfate |
