4ZJ2
Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli :E166N mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-11 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.461, 47.044, 127.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.800 |
| R-factor | 0.16753 |
| Rwork | 0.165 |
| R-free | 0.20904 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1btl |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.827 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.860 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.097 | 0.604 |
| Number of reflections | 26744 | |
| <I/σ(I)> | 15 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.1 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 295 | 0.1M 2-(N-morpholino) ethanesulfonic acid (MES) pH 6.5, 15% PEG 20.000 and 15% PEG 550MME |
