6YYX
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-methyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
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 | 2020-01-19 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97950 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.220, 86.591, 123.265 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.210 - 1.530 |
R-factor | 0.1639 |
Rwork | 0.162 |
R-free | 0.19220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jtc |
RMSD bond length | 0.012 |
RMSD bond angle | 1.281 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.590 | 1.710 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmerge | 0.068 | 1.289 |
Number of reflections | 48664 | 2433 |
<I/σ(I)> | 16.6 | 1.4 |
Completeness [%] | 88.7 | |
Redundancy | 11 | |
CC(1/2) | 0.999 | 0.665 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 200 mM Bis Tris Propane, 200 mM sodium/potassium phosphate, 20% w/v PEG 3350, 1 mM manganese chloride, 2 mM 3-methyl-2-oxoglutarate, 18 mg/ml protein |