6THP
Neprilysin in complex with the inhibitor (R)-4-(1-carboxy-3-(3'-chlorobiphenyl-4-yl)propan-2-ylamino)-4-oxobutanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2009-06-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.790, 109.390, 248.018 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.940 - 2.540 |
| R-factor | 0.2081 |
| Rwork | 0.205 |
| R-free | 0.26390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jmy |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.338 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0063) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.680 | 2.620 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Rmerge | 0.114 | 0.536 |
| Number of reflections | 54635 | 4796 |
| <I/σ(I)> | 14.47 | 3.91 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 5.49 | 5.59 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bis-Tris pH 6.5, 25% W/V PEG 3350, 2 mM MGCL2, 0.2 M Ammoniumacetate |
