3L8H
Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from B. bronchiseptica complexed with magnesium and phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 38.072, 58.389, 85.724 |
| Unit cell angles | 90.48, 97.54, 92.02 |
Refinement procedure
| Resolution | 29.174 - 1.680 |
| R-factor | 0.1743 |
| Rwork | 0.172 |
| R-free | 0.19960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.127 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.5_2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.740 |
| High resolution limit [Å] | 1.680 | 3.620 | 1.680 |
| Rmerge | 0.059 | 0.037 | 0.253 |
| Number of reflections | 147263 | ||
| <I/σ(I)> | 12.5 | ||
| Completeness [%] | 94.6 | 99 | 77.3 |
| Redundancy | 3.5 | 3.8 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 7.5 | 298 | 0.1M Tris, 5mM Mg formate, 25% PEG 3350, 5% dioxane, 100mM sacrosine, pH 7.5, hanging drop, temperature 298K |
