4KZA
Crystal structure of AmpC beta-lactamase in complex with fragment 48 (3-(cyclopropylsulfamoyl)thiophene-2-carboxylic 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] | 80 |
Detector technology | CCD |
Collection date | 2012-05-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.115869 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.620, 76.630, 97.980 |
Unit cell angles | 90.00, 116.91, 90.00 |
Refinement procedure
Resolution | 29.555 - 1.600 |
R-factor | 0.1609 |
Rwork | 0.160 |
R-free | 0.18870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ke4 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.501 |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.555 | 1.640 | |
High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
Rmerge | 0.040 | 0.015 | 0.481 |
Number of reflections | 102278 | 1166 | 7603 |
<I/σ(I)> | 19.46 | 62.42 | 2.46 |
Completeness [%] | 99.0 | 95.3 | 99.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 293 | 1.7 M potassium phosphate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |