4ZAB
Structure of A. niger Fdc1 in complex with alpha-fluoro cinnamic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-13 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 95.910, 64.200, 87.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.280 - 1.160 |
R-factor | 0.14661 |
Rwork | 0.146 |
R-free | 0.15388 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4za4 |
RMSD bond length | 0.031 |
RMSD bond angle | 2.622 |
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] | 32.280 | 1.190 |
High resolution limit [Å] | 1.160 | 1.160 |
Rmerge | 0.361 | |
Number of reflections | 175535 | |
<I/σ(I)> | 12 | 2.3 |
Completeness [%] | 98.7 | 99.9 |
Redundancy | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2 M potassium thiocyanate, Bis-Tris propane 6.5, 20 % w/v PEG 3350 |