2WED
ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE MACROCYCLIC INHIBITOR:METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], SODIUM SALT
Replaces: 1WEDExperimental procedure
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-02-16 |
| Detector | MACSCIENCE |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.880, 46.640, 66.590 |
| Unit cell angles | 90.00, 116.14, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.158 |
| Rwork | 0.154 |
| R-free | 0.19000 |
| Structure solution method | DIFFERENCE FOURIER METHOD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.305 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.079 | 0.289 |
| Number of reflections | 38650 | |
| <I/σ(I)> | 20.98 | 3.4 |
| Completeness [%] | 89.2 | 77.55 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.4 | 0.1M NAC2H3O2 PH=4.4 35-40% SATURATED (NH4)2SO4 |
