7YBC
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with (S)-4-hydroxy-4-methyl-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-09 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.99990 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.372, 87.049, 124.396 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.600 - 1.840 |
R-factor | 0.1786 |
Rwork | 0.178 |
R-free | 0.19870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jtc |
RMSD bond length | 0.005 |
RMSD bond angle | 0.786 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.320 | 1.870 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.279 | 4.176 |
Rmeas | 0.290 | 4.345 |
Rpim | 0.081 | 1.195 |
Number of reflections | 48417 | 2389 |
<I/σ(I)> | 8.5 | 0.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.9 | 13.2 |
CC(1/2) | 0.994 | 0.399 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2 M Sodium acetate trihydrate, 20 % w/v Polyethylene glycol 3,350, 0.1 M Bis Tris propane |