5GHZ
Crystal structure of beta-lactamase PenP mutant-E166H in complex with cephaloridine as "pre-deacylation" intermediate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2013-09-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 43.290, 45.490, 66.100 |
Unit cell angles | 77.81, 75.48, 68.76 |
Refinement procedure
Resolution | 37.400 - 1.930 |
R-factor | 0.1612 |
Rwork | 0.159 |
R-free | 0.20440 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.088 |
Data reduction software | SCALA |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.417 | 42.021 | 2.030 |
High resolution limit [Å] | 1.926 | 6.090 | 1.930 |
Rmerge | 0.042 | 0.128 | |
Rmeas | 0.063 | 0.049 | 0.148 |
Rpim | 0.032 | 0.024 | 0.075 |
Total number of observations | 121668 | 4031 | 16617 |
Number of reflections | 31135 | ||
<I/σ(I)> | 18 | 28 | 9.8 |
Completeness [%] | 91.2 | 95.6 | 86.3 |
Redundancy | 3.9 | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1M Tris pH 8.0, 22.5% PEG 3350, 0.4M ammonium acetate |