4E57
Crystal Structure of spacer 6aa-shortened cephalosporin acylase mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97916 |
| Spacegroup name | P 41 |
| Unit cell lengths | 73.599, 73.599, 383.834 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.280 - 2.000 |
| R-factor | 0.1837 |
| Rwork | 0.182 |
| R-free | 0.20670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fm2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.041 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.122 | 0.081 | 0.515 |
| Number of reflections | 136743 | ||
| <I/σ(I)> | 6.8 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 7.6 | 7.3 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | Sodium acetate trihydrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
