1ODT
cephalosporin C deacetylase mutated, in complex with acetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-06-15 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 157.167, 157.170, 132.098 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.000 * - 1.690* |
| R-factor | 0.158 |
| Rwork | 0.156 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ods |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.580 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.000 * | |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.048 | 0.393 |
| Number of reflections | 63610 | |
| <I/σ(I)> | 14.9 | 2.7 |
| Completeness [%] | 97.6 | 95.9 |
| Redundancy | 3.1 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 0.1M MOPS PH 6.5 0.2 M NA ACETATE 30% MPD , 0.1M MGCL2, |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | MPD | 25 (%(v/v)) | |
| 2 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH7.5 |
| 3 | 1 | reservoir | 0.2 (M) | ||
| 4 | 1 | reservoir | dithiothreitol | 10 (mM) | |
| 5 | 1 | drop | sodium acetate | 0.2 (M) |
