4E55
Crystal Structure of spacer removed 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 | 74.238, 74.238, 383.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.1728 |
| Rwork | 0.171 |
| R-free | 0.19910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fm2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.181 |
| 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 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
| Rmerge | 0.115 | 0.060 | 0.427 |
| Number of reflections | 91121 | ||
| <I/σ(I)> | 8.1 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 6.1 | 6.3 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
