3L8E
Crystal Structure of apo form of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.766, 63.967, 103.196 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.105 - 1.640 |
| R-factor | 0.1737 |
| Rwork | 0.170 |
| R-free | 0.21150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.065 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.5_2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.700 |
| High resolution limit [Å] | 1.640 | 3.530 | 1.640 |
| Rmerge | 0.072 | 0.041 | 0.491 |
| Number of reflections | 76862 | ||
| <I/σ(I)> | 16.4 | ||
| Completeness [%] | 99.4 | 99.2 | 98.4 |
| Redundancy | 6.4 | 6.4 | 6.1 |
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 |
