6G0I
Active Fe-PP1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-30 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.96770 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 38.365, 68.686, 126.995 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.370 - 2.000 |
R-factor | 0.18974 |
Rwork | 0.188 |
R-free | 0.23328 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mov |
RMSD bond length | 0.013 |
RMSD bond angle | 1.510 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.370 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.088 | 0.995 |
Number of reflections | 22907 | 1670 |
<I/σ(I)> | 10.2 | |
Completeness [%] | 98.5 | 99.1 |
Redundancy | 4.4 | 4.5 |
CC(1/2) | 0.998 | 0.547 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 28% w/v PEG 3350, 0.1 M TRIS-Cl, pH 8.0 RT, 1 M Lithium Chloride Soaked in 18 mM ascorbate. |