1AJN
PENICILLIN ACYLASE COMPLEXED WITH P-NITROPHENYLACETIC 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 | 1995-07 |
| 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 | 26.120 - 2.360 |
| Rwork | 0.152 |
| R-free | 0.21840 |
| Structure solution method | ISOMORPHOUS TO NATIVE |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.040 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((AGROVATA) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.120 | 2.470 |
| High resolution limit [Å] | 2.360 | 2.350 |
| Rmerge | 0.075 * | 0.195 |
| Total number of observations | 70944 * | |
| Number of reflections | 34348 | |
| <I/σ(I)> | 8.9 | 3.8 |
| Completeness [%] | 97.5 | 93.4 |
| Redundancy | 2.1 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | CRYSTALLISED FROM 10% PEG 8000, 50MM MOPS, PH 7.2, STREAK SEEDED SOAKED IN 10MM P-NITROPHENYLACETIC ACID, pH 7.0, streak seeded |
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 (%) |
