5LWR
Endothiapepsin in complex with a derivative of fragment 177
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-06 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.207, 72.794, 52.616 |
| Unit cell angles | 90.00, 109.24, 90.00 |
Refinement procedure
| Resolution | 28.118 - 1.249 |
| R-factor | 0.1138 |
| Rwork | 0.113 |
| R-free | 0.13130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y5l |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.916 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.683 | 1.320 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.038 | 0.318 |
| Number of reflections | 87290 | |
| <I/σ(I)> | 20.72 | 3.5 |
| Completeness [%] | 98.1 | 89.7 |
| Redundancy | 3.996 | 3.031 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 290 | 0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000; crystals obtained by streak-seeding |
