2F78
BenM effector binding domain with its effector benzoate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Wavelength(s) | 1.00727 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.386, 69.508, 116.859 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.761 - 2.050 |
R-factor | 0.183 |
Rwork | 0.180 |
R-free | 0.24160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2f6p |
RMSD bond length | 0.007 |
RMSD bond angle | 1.116 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.761 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.068 | 0.599 |
Number of reflections | 32511 | |
<I/σ(I)> | 25.2 | 3.8 |
Completeness [%] | 96.7 | 97.5 |
Redundancy | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | microbatch under oil | 288 | PEG 4000, ammonium sulfate, sodium acetate, NaCl, tris, glycerol, imidazole, microbatch under oil, temperature 288K |