2WEB
ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL(2S)-[1-(((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOATE, SODIUM SALT
Replaces: 1WEBExperimental procedure
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 293 |
| Detector technology | AREA DETECTOR |
| Collection date | 1997-04-25 |
| Detector | SIEMENS-NICOLET X100 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.380, 46.550, 66.190 |
| Unit cell angles | 90.00, 115.78, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.500 |
| R-factor | 0.155 |
| Rwork | 0.151 |
| R-free | 0.19000 |
| Structure solution method | DIFFERENCE FOURIER METHOD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.287 |
| Data reduction software | XENGEN |
| Data scaling software | XENGEN |
| Phasing software | X-PLOR |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.084 | 0.272 |
| Number of reflections | 40665 | |
| <I/σ(I)> | 33.83 | 2.886 |
| Completeness [%] | 94.7 | 78.94 |
| Redundancy | 5.76 | 3.09 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.4 | 0.1M NAC2H3O2 PH=4.4 35-40% SATURATED (NH4)2SO4 |
