5GHY
Crystal structure of beta-lactamase PenP mutant-E166H in complex with cephaloridine as "post-acylation" 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 | 2013-09-07 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 43.240, 45.940, 65.990 |
Unit cell angles | 76.84, 75.58, 69.07 |
Refinement procedure
Resolution | 38.000 - 2.100 |
R-factor | 0.1982 |
Rwork | 0.196 |
R-free | 0.24040 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.173 |
Data reduction software | SCALA |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.155 | 42.401 | 2.110 |
High resolution limit [Å] | 2.005 | 6.340 | 2.010 |
Rmerge | 0.032 | 0.239 | |
Rmeas | 0.079 | 0.037 | 0.276 |
Rpim | 0.040 | 0.019 | 0.139 |
Total number of observations | 111449 | 3620 | 15470 |
Number of reflections | 28415 | ||
<I/σ(I)> | 14.2 | 28.9 | 5.3 |
Completeness [%] | 93.3 | 97 | 89.1 |
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 |