8DDZ
TEM-1 beta-lactamase A237Y
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.610, 83.770, 95.660 |
Unit cell angles | 90.00, 90.23, 90.00 |
Refinement procedure
Resolution | 38.370 - 1.450 |
R-factor | 0.1786 |
Rwork | 0.177 |
R-free | 0.21210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1erm |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.370 | 38.370 | 1.500 |
High resolution limit [Å] | 1.450 | 6.530 | 1.460 |
Rmerge | 0.167 | 0.062 | 2.002 |
Rmeas | 0.174 | 0.064 | 2.076 |
Number of reflections | 164606 | 1899 | 11707 |
<I/σ(I)> | 9.51 | 30.04 | 1.56 |
Completeness [%] | 97.6 | 98.1 | 95.7 |
Redundancy | 13.812 | 13.294 | 14.067 |
CC(1/2) | 0.998 | 0.999 | 0.729 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 296 | PEG 3350, 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) |