4LP9
Endothiapepsin complexed with Phe-reduced-Tyr peptide.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0435 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.620, 72.787, 45.113 |
| Unit cell angles | 90.00, 108.54, 90.00 |
Refinement procedure
| Resolution | 27.720 - 1.350 |
| R-factor | 0.1252 |
| Rwork | 0.123 |
| R-free | 0.16490 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1gvx |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.112 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | FFT |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.320 | 1.380 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.047 | 0.571 |
| Number of reflections | 69622 | |
| <I/σ(I)> | 14.8 | 2.1 |
| Completeness [%] | 98.2 | 84.1 |
| Redundancy | 3.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 294 | 0.1 M sodium acetate, 63% saturated ammonium sulfate, 3 mg/ml enzyme, 2 mM inhibitor (dissolved initially in DMSO), pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 294.0K |
