5H82
HETEROYOHIMBINE SYNTHASE THAS2 FROM CATHARANTHUS ROSEUS - APO FORM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-01 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.9200 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.360, 88.080, 121.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.690 - 2.050 |
R-factor | 0.1882 |
Rwork | 0.186 |
R-free | 0.22540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5h81 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.488 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.7) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.690 | 60.690 | 2.100 |
High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
Rmerge | 0.140 | 0.035 | 1.882 |
Rpim | 0.033 | 0.009 | 0.439 |
Total number of observations | 928074 | 11093 | 68460 |
Number of reflections | 49345 | ||
<I/σ(I)> | 17 | 69.5 | 1.9 |
Completeness [%] | 99.9 | 99.6 | 99.9 |
Redundancy | 18.8 | 17.4 | 19.2 |
CC(1/2) | 0.999 | 1.000 | 0.639 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | NULL |