6ENK
The X-ray crystal structure of DesE bound to desferrioxamine B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-01 |
Detector | RIGAKU |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.163, 58.055, 101.194 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.990 - 1.960 |
R-factor | 0.16172 |
Rwork | 0.159 |
R-free | 0.20423 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2x4l |
RMSD bond length | 0.011 |
RMSD bond angle | 1.499 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.990 | 2.010 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.059 | 0.120 |
Number of reflections | 20684 | |
<I/σ(I)> | 19.8 | 10.3 |
Completeness [%] | 94.3 | 95.5 |
Redundancy | 5.8 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 2.63M SODIUM MALONATE, 0.1M BISTRIS PH 6.0, 0.24M NACL. |