1TDG
Complex of S130G SHV-1 beta-lactamase with tazobactam
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | AREA DETECTOR |
Collection date | 2003-07-01 |
Detector | SIEMENS HI-STAR |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.834, 55.255, 83.571 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.141 |
Rwork | 0.140 |
R-free | 0.17600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1shv |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | X-GEN |
Data scaling software | X-GEN |
Phasing software | EPMR |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.000 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.059 | 0.138 |
Number of reflections | 20318 | |
<I/σ(I)> | 14.8 | 4.5 |
Completeness [%] | 92.2 | 79.1 |
Redundancy | 6.1 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 15% PEG 6000, 50 mM HEPES, 0.56 mM Cymal-6 detergent, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |