4E56
Crystal Structure of spacer 8aa-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 | 73.743, 73.743, 383.726 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.320 - 2.200 |
| R-factor | 0.1743 |
| Rwork | 0.173 |
| R-free | 0.20240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fm2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.059 |
| 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 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
| Rmerge | 0.136 | 0.082 | 0.404 |
| Number of reflections | 103752 | ||
| <I/σ(I)> | 9.7 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 7.6 | 7.6 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 287 | PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
