1KGG
STRUCTURE OF BETA-LACTAMASE GLU166GLN:ASN170ASP MUTANT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | SIEMENS |
Temperature [K] | 293 |
Detector technology | AREA DETECTOR |
Detector | SIEMENS |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 54.000, 94.800, 138.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.300 |
R-factor | 0.178 * |
Rwork | 0.178 |
R-free | 0.26300 |
Structure solution method | OTHER |
Starting model (for MR) | 3blm |
RMSD bond length | 0.018 |
RMSD bond angle | 1.900 |
Data reduction software | X-GEN |
Data scaling software | X-GEN |
Refinement software | X-PLOR (3.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.440 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.114 | 0.441 |
Number of reflections | 15531 | 2665 * |
<I/σ(I)> | 11.8 | 1.8 |
Completeness [%] | 95.6 | 87.1 |
Redundancy | 3.4 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8 | pH 8.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | 89 (%sat) | |
2 | 1 | reservoir | PEG2000 | 0.5 (%) | |
3 | 1 | reservoir | sodium bicarbonate | 0.1 (M) | |
4 | 1 | drop | enzyme | 10 (mg/ml) |