4ZAD
Structure of C. dubliensis Fdc1 with the prenylated-flavin cofactor in the iminium form.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-11-29 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 91.970, 64.550, 96.050 |
Unit cell angles | 90.00, 91.07, 90.00 |
Refinement procedure
Resolution | 67.040 - 2.460 |
R-factor | 0.20761 |
Rwork | 0.205 |
R-free | 0.25569 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.716 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.040 | 2.520 |
High resolution limit [Å] | 2.460 | 2.460 |
Rpim | 0.091 | 0.480 |
Number of reflections | 39186 | |
<I/σ(I)> | 6.7 | 1.7 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M potassium thiocyanate, sodium acetate pH 5.5 and 15% w/v PEG 4000. |