3L8F
Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli complexed with magnesium and phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 64.476, 50.002, 51.884 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.790 |
| Rwork | 0.191 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.850 |
| High resolution limit [Å] | 1.790 | 3.860 | 1.790 |
| Rmerge | 0.048 | 0.028 | 0.508 |
| Number of reflections | 29102 | ||
| <I/σ(I)> | 12.4 | ||
| Completeness [%] | 99.6 | 98.6 | 99.9 |
| Redundancy | 6.7 | 6.5 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 7.5 | 298 | 0.1M Tris, 5mM MgCl2, 25% PEG 3350, pH 7.5, hanging drop, temperature 298K |
