4DY4
High resolution structure of E.coli WrbA with FMN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-27 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.9171 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.150, 61.150, 169.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.710 - 1.200 |
R-factor | 0.1501 |
Rwork | 0.149 |
R-free | 0.17120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.536 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 22.710 | 22.710 | 1.230 |
High resolution limit [Å] | 1.200 | 5.370 | 1.200 |
Rmerge | 0.064 | 0.028 | 0.677 |
Total number of observations | 8373 | 27490 | |
Number of reflections | 97715 | ||
<I/σ(I)> | 14.3 | 21.5 | 1.1 |
Completeness [%] | 96.6 | 93.4 | 75.1 |
Redundancy | 7.6 | 6.8 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 287 | 28% PEG3350, 0.5 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 287K |