2NM3
Crystal structure of dihydroneopterin aldolase from S. aureus in complex with (1S,2S)-monapterin at 1.68 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-03 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 61.191, 61.191, 124.528 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.680 |
| R-factor | 0.224 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dhn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.023 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.740 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.058 | 0.388 |
| Number of reflections | 13718 | |
| <I/σ(I)> | 31.32 | 2.09 |
| Completeness [%] | 98.0 | 88.7 |
| Redundancy | 10.472 | 9.31 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 292 | 1.4M Sodium acetate, 0.2M Imidazole, 0.1M Sodium cacodylate, 10mM Tris-HCL, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
