2WEA
ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL[CYCLO-7[(2R)-((N-VALYL) AMINO)-2-(HYDROXYL-(1S)-1-METHYOXYCARBONYL-2-PHENYLETHOXY) PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], SODIUM SALT
Replaces: 1WEAExperimental procedure
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 110 |
| Detector technology | AREA DETECTOR |
| Collection date | 1997-03-22 |
| Detector | SIEMENS-NICOLET X100 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 96.330, 46.270, 64.590 |
| Unit cell angles | 90.00, 115.10, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.250 |
| R-factor | 0.149 |
| Rwork | 0.145 |
| R-free | 0.19200 * |
| Structure solution method | DIFFERENCE FOURIER METHOD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.454 |
| 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 | 1.290 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.059 | 0.148 |
| Total number of observations | 203415 * | |
| Number of reflections | 58629 | |
| <I/σ(I)> | 41.28 | 5.18 |
| Completeness [%] | 82.2 | 40.47 |
| Redundancy | 3.47 | 2.05 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 4.4 | 18-22 * | used macroseeding, Fraser, M.E., (1992) Biochemistry, 31, 5201. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | ammonium sulfate | 34-40 (%sat) | |
| 2 | 1 | drop | 0.1 (M) | ||
| 3 | 1 | drop | complex | 10 (mg/ml) |
