4C3Q
Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) at 100K
Experimental procedure
Source type | NUCLEAR REACTOR |
Source details | FRM II BEAMLINE BIODIFF |
Synchrotron site | FRM II |
Beamline | BIODIFF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-08-01 |
Detector | FUJI |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 72.889, 72.889, 98.189 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 9.996 - 2.200 |
R-factor | 0.1944 |
Rwork | 0.192 |
R-free | 0.24000 |
Starting model (for MR) | NONE |
RMSD bond length | 0.174 |
RMSD bond angle | 0.529 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 10.000 |
High resolution limit [Å] | 2.200 |
Rmerge | 0.160 |
Number of reflections | 282104 |
Completeness [%] | 88.6 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.6 | PH 5.6 |