8J6Y
Crystal structure of class A beta-lactamase PSE-4 WT- Apo state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-01-16 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.54 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 95.951, 95.951, 61.509 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.226 - 2.400 |
Rwork | 0.209 |
R-free | 0.27190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.559 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.226 | 27.210 | 2.490 |
High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
Rmerge | 0.153 | 0.030 | 1.228 |
Rmeas | 0.161 | 0.032 | 1.292 |
Rpim | 0.049 | 0.011 | 0.400 |
Number of reflections | 11708 | 266 | 1182 |
<I/σ(I)> | 14.6 | ||
Completeness [%] | 98.9 | ||
Redundancy | 19.5 | 11.4 | 19.4 |
CC(1/2) | 0.999 | 1.000 | 0.955 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 2.5 M Ammonium sulfate, 0.1 M BIS-TRIS propane pH 7.0 |