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. |
