2O90
Atomic resolution crystal structure of E.coli dihydroneopterin aldolase in complex with neopterin
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 | 2003-04-26 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97950 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 81.192, 81.192, 81.054 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.700 - 1.070 |
| R-factor | 0.1299 |
| Rwork | 0.130 |
| R-free | 0.14970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dhn |
| RMSD bond length | 0.019 |
| RMSD bond angle | 0.034 |
| 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 | 1.110 |
| High resolution limit [Å] | 1.070 | 1.070 |
| Rmerge | 0.043 | 0.309 |
| Number of reflections | 56733 | |
| <I/σ(I)> | 40.8 | 2.3 |
| Completeness [%] | 95.1 | 64.6 |
| Redundancy | 9.111 | 6.02 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 292 | SODIUM FORMATE, TRIS-HCL, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
