1RB0
CRYSTAL STRUCTURE OF A BINARY COMPLEX OF E. COLI HPPK WITH 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE AT 1.35 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 | 2000-10-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97793 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 51.591, 67.519, 35.165 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.350 |
| Rwork | 0.137 |
| R-free | 0.19980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1Q0N |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.042 |
| 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 | 1.400 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.082 | 0.567 |
| Number of reflections | 27560 | |
| <I/σ(I)> | 15.4146 | 2.252 |
| Completeness [%] | 99.4 | 98.4 |
| Redundancy | 3.79 | 3.423 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 292 | PEG4000, ACETATE, SODIUM AZIDE, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K |
