1KVL
X-ray Crystal Structure of AmpC S64G Mutant beta-Lactamase in Complex with Substrate and Product Forms of Cephalothin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 5ID-B |
Synchrotron site | APS |
Beamline | 5ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-08-11 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.619, 77.153, 98.066 |
Unit cell angles | 90.00, 115.90, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.530 |
R-factor | 0.195 * |
Rwork | 0.195 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1c3b |
RMSD bond length | 0.014 |
RMSD bond angle | 1.700 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.570 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmerge | 0.066 | 0.400 |
Total number of observations | 385475 * | |
Number of reflections | 108082 | |
<I/σ(I)> | 28.2 | 2.14 |
Completeness [%] | 90.3 | 95.5 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 23 * | 1.7 M potassium phosphate; the crystal was then soaked in saturated cephalothin in crystallizing buffer for 3 hours, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | potassium phosphate | 1.7 (M) | pH8.7 |