5O98
Binary complex of Catharanthus roseus Vitrosamine Synthase with NADP+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.830, 61.020, 162.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.300 - 1.550 |
R-factor | 0.1701 |
Rwork | 0.169 |
R-free | 0.19030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o26 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.497 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.14) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.300 | 55.300 | 1.590 |
High resolution limit [Å] | 1.550 | 6.930 | 1.550 |
Rmerge | 0.076 | 0.095 | 1.120 |
Rmeas | 0.080 | 0.100 | 1.255 |
Rpim | 0.024 | 0.032 | 0.549 |
Number of reflections | 85013 | ||
<I/σ(I)> | 17 | ||
Completeness [%] | 99.5 | 99.9 | 96.5 |
Redundancy | 9 | 9.7 | 4.7 |
CC(1/2) | 0.997 | 0.993 | 0.614 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | NULL |