5EAZ
crystal form I of YfiB belonging to space groups P21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E DW |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-20 |
Detector | RIGAKU |
Wavelength(s) | 1.54187 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.849, 90.449, 66.304 |
Unit cell angles | 90.00, 113.87, 90.00 |
Refinement procedure
Resolution | 23.128 - 2.151 |
R-factor | 0.2045 |
Rwork | 0.201 |
R-free | 0.26290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3khn |
RMSD bond length | 0.009 |
RMSD bond angle | 1.085 |
Data reduction software | d*TREK |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.190 |
High resolution limit [Å] | 2.150 | 5.830 | 2.150 |
Rmerge | 0.068 | 0.039 | 0.447 |
Total number of observations | 159447 | ||
Number of reflections | 37635 | ||
<I/σ(I)> | 9.6 | ||
Completeness [%] | 97.2 | 97.8 | 95.3 |
Redundancy | 4.2 | 4.4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.2 M lithium sulfate monohydrate, 0.1 M Tris-HCl, 30%(w/v) polyethylene glycol 4000 |