6TTM
Hyoscyamine 6-hydroxylase in complex with N-oxalylglycine and hyoscyamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.536, 70.780, 78.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.240 - 1.910 |
R-factor | 0.1612 |
Rwork | 0.159 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gp6 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MoRDa |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.940 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.038 | 0.344 |
Rmeas | 0.043 | 0.392 |
Number of reflections | 29418 | 1324 |
<I/σ(I)> | 25.1 | 1.971 |
Completeness [%] | 96.9 | 90.4 |
Redundancy | 3.9 | |
CC(1/2) | 0.998 | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Protein sample: 20 mg/ml H6H in water, 100 mM N-oxalylglycine, 10 mM hyoscyamine. Mother liquor: 100 mM strontium chloride, 180 mM sodium formate, 21% PEG 3350. |