3BFE
Crystal Structure of the Class A beta-lactamase SED-1 from Citrobacter sedlakii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.984 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 188.099, 73.655, 105.409 |
| Unit cell angles | 90.00, 121.67, 90.00 |
Refinement procedure
| Resolution | 29.310 - 2.400 |
| R-factor | 0.232 |
| Rwork | 0.223 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bfd |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.310 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 42772 | |
| <I/σ(I)> | 6.4 | 3.2 |
| Completeness [%] | 89.4 | 81.8 |
| Redundancy | 2.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 35% PEG 10000, 200mM KSCN, 100mM Tris-HCL pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
