3N2C
Crystal structure of prolidase eah89906 complexed with n-methylphosphonate-l-proline
Replaces: 3LWYExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-18 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 |
| Unit cell lengths | 113.186, 108.035, 170.772 |
| Unit cell angles | 81.32, 80.47, 73.76 |
Refinement procedure
| Resolution | 40.000 - 2.810 |
| R-factor | 0.22182 |
| Rwork | 0.220 |
| R-free | 0.27297 |
| Structure solution method | MR |
| Starting model (for MR) | 3feq |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.142 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.180 | |
| Number of reflections | 186340 | |
| <I/σ(I)> | 3.5 | 0.5 |
| Completeness [%] | 98.3 | 97 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 8% PEG8000, MES, PH 6.0, 200MM SODIUM ACETATE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 280K |
