5JZ6
Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese and L-malate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-10 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.019, 70.641, 172.541 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.153 - 2.354 |
| R-factor | 0.1888 |
| Rwork | 0.186 |
| R-free | 0.21960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.634 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.160 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.135 | 0.896 |
| Number of reflections | 25633 | |
| <I/σ(I)> | 14.2 | 2.5 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.5 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 1mM MMT buffer (DL-Malic acid, MES, Tris base), 25% PEG1500, 1 mM MnCl2, 2 mM N-oxalylglycine, 18 mg/ml protein |
