2HDS
AmpC beta-lactamase in complex with 4-Methanesulfonylamino benzoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Detector technology | CCD |
Collection date | 2005-05-27 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 119.238, 74.764, 98.050 |
Unit cell angles | 90.00, 115.98, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.160 |
R-factor | 0.109 |
Rwork | 0.108 |
R-free | 0.12800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ke4 |
RMSD bond length | 0.022 |
RMSD bond angle | 2.017 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.200 |
High resolution limit [Å] | 1.160 | 2.500 | 1.160 |
Rmerge | 0.041 | 0.032 | 0.328 |
Number of reflections | 265508 | ||
<I/σ(I)> | 13.3 | ||
Completeness [%] | 98.9 | 96.3 | 94 |
Redundancy | 2.6 | 2.7 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 294 | 1.8M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K |