5HCO
Endothiapepsin in complex with hydrazide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.247, 72.936, 52.730 |
| Unit cell angles | 90.00, 109.15, 90.00 |
Refinement procedure
| Resolution | 42.740 - 1.170 |
| R-factor | 0.1258 |
| Rwork | 0.125 |
| R-free | 0.14320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pcw |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.216 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1492) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.740 | 1.240 |
| High resolution limit [Å] | 1.170 | 1.170 |
| Rmerge | 0.442 | |
| Number of reflections | 108391 | |
| <I/σ(I)> | 16.78 | 2.63 |
| Completeness [%] | 99.3 | 96.9 |
| Redundancy | 3.7 | 3.52 |
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 |
