4UMJ
Native structure of Farnesyl Pyrophosphate Synthase from Pseudomonas aeruginosa PA01, with bound ibandronic acid molecules.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Collection date | 2011-07-07 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 85.310, 98.550, 131.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.660 - 1.850 |
| R-factor | 0.20178 |
| Rwork | 0.200 |
| R-free | 0.24269 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.764 |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.670 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.100 | 0.530 |
| Number of reflections | 46925 | |
| <I/σ(I)> | 7.9 | 1.8 |
| Completeness [%] | 98.8 | 94.5 |
| Redundancy | 4.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.2 M MGCL2, 20% PEG6000, 0.1 M TRIS CL PH 8 |
