4ZLW
Crystal structure of the PmFTN variant E130A soaked in iron (overnight)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 2 3 |
Unit cell lengths | 175.051, 175.051, 175.051 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.550 - 2.000 |
R-factor | 0.1886 |
Rwork | 0.187 |
R-free | 0.22740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zkh |
RMSD bond length | 0.019 |
RMSD bond angle | 1.799 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | MOLREP (11.0.05) |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.550 | 46.784 | 2.110 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.025 | 1.135 | |
Rmeas | 0.115 | ||
Rpim | 0.031 | 0.008 | 0.330 |
Total number of observations | 1670804 | 56205 | 237246 |
Number of reflections | 120022 | ||
<I/σ(I)> | 14.9 | 45 | 2.4 |
Completeness [%] | 100.0 | 98.5 | 100 |
Redundancy | 13.9 | 14.3 | 13.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | Sodiaum acetate pH 5.5, Ammonium sulfate, NaCl |