1JVZ
Structure of cephalosporin acylase in complex with glutaryl-7-aminocephalosporanic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 125 |
| Detector technology | CCD |
| Collection date | 2000-06-24 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 74.140, 74.140, 379.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.192 |
| Rwork | 0.190 |
| R-free | 0.21300 * |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.270 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.060 | 0.587 |
| Total number of observations | 196351 * | |
| Number of reflections | 32457 | |
| <I/σ(I)> | 22.9 | |
| Completeness [%] | 98.3 * | 92.1 |
| Redundancy | 6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 21 * | PEG8000, MgAcetate, NaCacodylate, DTT, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | sodium phosphate | 50 (mM) | pH7.0 |
| 3 | 1 | drop | 150 (mM) | ||
| 4 | 1 | drop | GL-7-ACA | 20 (mM) | |
| 5 | 1 | reservoir | PEG8000 | 20 (%(w/v)) | |
| 6 | 1 | reservoir | dithiothreitol | 10 (mM) | |
| 7 | 1 | reservoir | magnesium acetate | 200 (mM) | |
| 8 | 1 | reservoir | sodium cacodylate | 100 (mM) | pH5.5 |
