2HDR
AmpC beta-lactamase in complex with 4-Amino-3-hydroxybenzoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-04-08 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 117.239, 77.340, 99.010 |
Unit cell angles | 90.00, 118.44, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.197 |
Rwork | 0.197 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ke4 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.022 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.076 | 0.416 |
Number of reflections | 38774 | |
<I/σ(I)> | 8.1 | |
Completeness [%] | 97.5 | 97 |
Redundancy | 3.1 | 2.5 |
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 |