5F3M
Crystal structure of dihydroneopterin aldolase from Bacillus anthracis complexed with L-neopterin at 1.5 Angstroms resolution .
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 87.974, 87.974, 104.549 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.657 - 1.498 |
| R-factor | 0.1388 |
| Rwork | 0.138 |
| R-free | 0.16140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sql |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.905 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.10pre_2104: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.093 | 0.650 |
| Number of reflections | 66418 | |
| <I/σ(I)> | 31.39 | 1.96 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 8.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.02M magnesium chloride, 0.02M Nickel chloride, 0.1M Hepes pH 7.0, 20% PEG 3350 |
