3UFH
Crystal structure of UndA with Iron Citrate bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-07-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.880, 106.530, 151.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.630 - 2.230 |
R-factor | 0.16545 |
Rwork | 0.163 |
R-free | 0.21078 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.541 |
Data reduction software | MOSFLM |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.480 | 2.290 |
High resolution limit [Å] | 2.170 | 2.170 |
Rmerge | 0.411 | |
Number of reflections | 59175 | |
<I/σ(I)> | 5.9 | 3.7 |
Completeness [%] | 97.9 | 97 |
Redundancy | 3.4 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1M MES, 50 mM NaCl, 50 mM MgCl2, 15% PEG5000, 20% Glycerol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |