4C6Y
Ancestral PNCA (last common ancestors of Gram-positive and Gram- negative bacteria) beta-lactamase class A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-11-25 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.581, 57.473, 240.401 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.703 - 1.799 |
R-factor | 0.143 |
Rwork | 0.142 |
R-free | 0.17000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4b88 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.302 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.700 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.060 | 0.460 |
Number of reflections | 52107 | |
<I/σ(I)> | 19 | 4.3 |
Completeness [%] | 99.9 | 99 |
Redundancy | 6.5 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | CAPILLARY COUNTERDIFFUSION 20%PEG 400, 15%PEG 4K, 10% PEG 8K, TRIS-HCL 0.1M PH 7.0 |