3ESR
Crystal Structure of D,D-heptose1.7-bisphosphate phosphatase from E. coli in complex with calcium and phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-09-05 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 64.183, 50.446, 52.018 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.650 - 1.950 |
| R-factor | 0.21149 |
| Rwork | 0.208 |
| R-free | 0.27598 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gmw |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.791 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.650 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.055 | 0.340 |
| Number of reflections | 11271 | |
| <I/σ(I)> | 13.5 | 3.2 |
| Completeness [%] | 88.5 | 98.2 |
| Redundancy | 3.79 | 3.33 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 25% PEG 3350, 0.1M Tris, 0.005M DTT, 0.025M sodium chloride, 0.005M calcium chloride, 0.005M sodium phosphate, 11% glycerol , pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
