4GXN
Diethylphosphonate Inhibited Structure of the Proteus mirabilis Lipase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ DW |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-03-21 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 32 |
| Unit cell lengths | 65.574, 65.574, 63.465 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.790 - 2.200 |
| R-factor | 0.1982 |
| Rwork | 0.195 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.872 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.125 | 0.087 | 0.532 |
| Number of reflections | 20659 | ||
| <I/σ(I)> | 9.2 | ||
| Completeness [%] | 99.8 | 99 | 99.9 |
| Redundancy | 3.1 | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.1 M Bis-Tris propane pH 6.5, 16% w/v PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
