5U0V
E. coli dihydropteroate synthase complexed with 6-methylamino-5-nitrosoisocytosine
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 | 2008-08-21 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.95665 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.605, 85.016, 82.085 |
| Unit cell angles | 90.00, 102.83, 90.00 |
Refinement procedure
| Resolution | 38.027 - 1.700 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aj2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.265 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.030 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.072 | 0.799 |
| Number of reflections | 61845 | |
| <I/σ(I)> | 17.6 | 1.8 |
| Completeness [%] | 96.3 | 71.2 |
| Redundancy | 7.2 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 281 | 125 mM CaCl2, 17% PEG6000, 100 mM Na-acetate, protein at 29 mg.mL-1 |
