6TTN
N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with N-oxalylglycine and hyoscyamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.894, 79.841, 104.701 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.780 - 1.120 |
R-factor | 0.1274 |
Rwork | 0.127 |
R-free | 0.14610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ttm |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.780 | 1.180 |
High resolution limit [Å] | 1.120 | 1.120 |
Rmeas | 0.090 | 1.734 |
Number of reflections | 129252 | 19792 |
<I/σ(I)> | 15.2 | 1.2 |
Completeness [%] | 99.2 | 95 |
Redundancy | 12.4 | 9.1 |
CC(1/2) | 0.999 | 0.460 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Protein sample: 29 mg/ml tH6H in water, 100 mM N-oxalylglycine, 10 mM hyoscyamine. Mother liquor: 100 mM strontium chloride, 200 mM sodium formate, 20% PEG 3350. |