1KEH
Precursor structure of cephalosporin acylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 125 |
| Detector technology | CCD |
| Collection date | 2001-01-07 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.91 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 73.700, 73.700, 381.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.203 * |
| Rwork | 0.203 |
| R-free | 0.23700 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.320 * |
| 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 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.108 * | 0.548 * |
| Total number of observations | 838095 * | |
| Number of reflections | 38001 | |
| Completeness [%] | 95.5 | 70.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 21 * | PEG8000, MgAcetate, Sodium Cacodylate, DTT, pH 6.5, 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 | 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) | pH6.5 |
