5U10
E. coli dihydropteroate synthase complexed with pteroic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-15 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.95370 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 96.541, 83.868, 83.933 |
| Unit cell angles | 90.00, 111.03, 90.00 |
Refinement procedure
| Resolution | 47.030 - 2.040 |
| R-factor | 0.21159 |
| Rwork | 0.210 |
| R-free | 0.25063 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aj2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.327 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.030 | 2.090 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.058 | 0.691 |
| Number of reflections | 39630 | |
| <I/σ(I)> | 25.4 | 3.2 |
| Completeness [%] | 98.9 | 86.4 |
| Redundancy | 7.4 | 6.8 |
| CC(1/2) | 0.999 | 0.898 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 281 | 0.134M magnesium sulfate 19.7 %w/v/ PEG8000 0.1M sodium cacodylate, pH 6.03 Protein concentration 11.1 mg.mL-1 1:1 (150:150 nL) reservoir:protein Cocrystallisation |
