3T3Y
Crystal structure of AlkB in complex with Fe(III) and 2-(3-hydroxypicolinomido)acetic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-05 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5412 |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.813, 38.594, 40.487 |
| Unit cell angles | 71.25, 72.21, 66.70 |
Refinement procedure
| Resolution | 22.913 - 2.001 |
| R-factor | 0.1837 |
| Rwork | 0.182 |
| R-free | 0.22070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t4h |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.254 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.3.0) |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.043 | 0.029 | 0.218 |
| Number of reflections | 12688 | ||
| <I/σ(I)> | 28.3 | 36.225 | 4.307 |
| Completeness [%] | 99.2 | 98.8 | 97.9 |
| Redundancy | 3.7 | 3.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 25% PEG 3350, 0.1M bis-tris pH6.5, 0.44mM ammonium iron(II) sulphate, 1mM 2-(3-hydroxypicolinomido)acetic acid, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
