6ZEA
Strictosidine Synthase from Catharanthus roseus in complex with racemic 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 120 |
Detector technology | PIXEL |
Collection date | 2017-05-22 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.440, 71.420, 109.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.470 - 1.540 |
R-factor | 0.1839 |
Rwork | 0.182 |
R-free | 0.21760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6s5m |
RMSD bond length | 0.023 |
RMSD bond angle | 2.157 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.470 | 1.580 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.050 | 1.100 |
Rpim | 0.030 | 0.700 |
Number of reflections | 51780 | 3756 |
<I/σ(I)> | 14.1 | 1.4 |
Completeness [%] | 99.0 | |
Redundancy | 6.4 | |
CC(1/2) | 1.000 | 0.580 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2 M sodium chloride, HEPES pH 7.0, 20% PEG 6000 (w/v) |