1AJQ
PENICILLIN ACYLASE COMPLEXED WITH THIOPHENEACETIC ACID
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 300 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 52.120, 65.080, 76.300 |
| Unit cell angles | 100.20, 111.44, 105.81 |
Refinement procedure
| Resolution | 19.850 - 2.050 |
| Rwork | 0.165 |
| R-free | 0.23250 |
| Structure solution method | ISOMORPHOUS TO NATIVE |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.036 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.850 | 2.090 |
| High resolution limit [Å] | 2.030 | 2.050 |
| Rmerge | 0.072 | 0.400 |
| Total number of observations | 52711 * | |
| Number of reflections | 27171 * | |
| <I/σ(I)> | 36.4 | 62.6 |
| Completeness [%] | 97.0 | 79.7 |
| Redundancy | 2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.2 | CRYSTALLIZED FROM 10% PEG 8000, 50MM MOPS, PH 7.2, STREAK SEEDED. SOAKED IN 5MM THIOPHENEACETIC ACID |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | penicillin acylase | 5 (mg/ml) | |
| 2 | 1 | drop | MOPS | 25 (mM) | |
| 3 | 1 | drop | PEG8000 | 5 (%) | |
| 4 | 1 | reservoir | MOPS | 50 (mM) | |
| 5 | 1 | reservoir | PEG8000 | 9-14 (%) |
