3T4H
Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(3-nitrobenzyl)-L-cysteine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-07 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5412 |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.661, 38.830, 40.274 |
| Unit cell angles | 77.64, 75.44, 66.42 |
Refinement procedure
| Resolution | 21.137 - 1.650 |
| R-factor | 0.16 |
| Rwork | 0.159 |
| R-free | 0.18710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.440 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.1) |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 21.140 | 500.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 3.451 | 1.600 |
| Rmerge | 0.082 | 0.050 | 0.226 |
| Number of reflections | 24608 | ||
| <I/σ(I)> | 37.1 | 22.249 | 4.48 |
| Completeness [%] | 95.6 | 95.8 | 84 |
| Redundancy | 3.6 | 5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 25% PEG 3350, 0.2M sodium chloride, 0.1M HEPES pH7.5, 2.2mM ammonium iron(II) sulfate, 5.7mM N-Oxalyl-S-(3-nitrobenzyl)-L-cysteine , VAPOR DIFFUSION, SITTING DROP, temperature 293K |
