1FM2
THE 2 ANGSTROM CRYSTAL STRUCTURE OF CEPHALOSPORIN ACYLASE
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 140 |
| Detector technology | CCD |
| Collection date | 1999-09-08 |
| Detector | OTHER |
| Wavelength(s) | 1.0000, 0.96410, 0.97820, 0.97946 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 73.600, 73.600, 380.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.000 |
| R-factor | 0.208 * |
| Rwork | 0.208 |
| R-free | 0.23000 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.044 | 0.216 |
| Total number of observations | 190883 * | |
| Number of reflections | 124497 | |
| <I/σ(I)> | 12.6 | |
| Completeness [%] | 92.3 | 88.9 |
| Redundancy | 1.5 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | 294 | 20% PEG8000, 200 mM MgAcetate, 100 mM NaCacodylate, 10 mM DTT, pH 6.5, VAPOR DIFFUSION, temperature 21K |
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) | |
| 3 | 1 | drop | 150 (mM) | ||
| 4 | 1 | reservoir | PEG8000 | 20 (%(w/v)) | |
| 5 | 1 | reservoir | dithiothreitol | 10 (mM) | |
| 6 | 1 | reservoir | magnesium acetate | 200 (mM) | |
| 7 | 1 | reservoir | sodium cacodylate | 100 (mM) |
