1KDS
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 3-nitrophenylboronic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1998-04-24 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 119.108, 77.730, 99.010 |
Unit cell angles | 90.00, 115.86, 90.00 |
Refinement procedure
Resolution | 10.000 * - 2.150 |
Rwork | 0.174 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1c3b |
RMSD bond length | 0.008 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.250 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.076 | 0.222 |
Total number of observations | 112903 * | |
Number of reflections | 43507 | |
<I/σ(I)> | 9.3 | 3.3 |
Completeness [%] | 98.0 | 94.7 |
Redundancy | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 23 * | used microseeding * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | potassium phosphate | 1.7 (M) | pH8.7 |
2 | 1 | drop | protein | 0.095 (mM) | |
3 | 1 | drop | potassium phosphate | 1.7 (M) | pH8.7 |