6K8X
Crystal structure of a class C beta lactamase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-09-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.2826 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 133.160, 60.290, 56.215 |
Unit cell angles | 90.00, 111.99, 90.00 |
Refinement procedure
Resolution | 34.814 - 1.590 |
R-factor | 0.1847 |
Rwork | 0.183 |
R-free | 0.20720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ixh |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.620 |
High resolution limit [Å] | 1.590 | 4.320 | 1.590 |
Rmerge | 0.077 | 0.054 | 0.230 |
Rmeas | 0.089 | 0.061 | 0.270 |
Rpim | 0.043 | 0.028 | 0.138 |
Total number of observations | 206207 | ||
Number of reflections | 51126 | 2504 | 2646 |
<I/σ(I)> | 18.9 | ||
Completeness [%] | 91.9 | 87.4 | 96.8 |
Redundancy | 4 | 4.7 | 3.7 |
CC(1/2) | 0.993 | 0.945 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 295 | 0.1M sodium cacodylate pH 5.5, 0.2M sodium chloride, 35% polyethylene glycol 400 |