6VPD
Crystal structure of Trgpx in apo form
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 | 2018-11-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 82.128, 43.636, 103.498 |
Unit cell angles | 90.00, 108.43, 90.00 |
Refinement procedure
Resolution | 39.876 - 2.603 |
R-factor | 0.1971 |
Rwork | 0.194 |
R-free | 0.25950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cmi |
RMSD bond length | 0.009 |
RMSD bond angle | 0.986 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.1) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.880 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.178 | 0.746 |
Rmeas | 0.199 | 0.837 |
Rpim | 0.087 | 0.372 |
Total number of observations | 50721 | 6150 |
Number of reflections | 10842 | 1306 |
<I/σ(I)> | 7 | 2.9 |
Completeness [%] | 99.4 | 98.6 |
Redundancy | 4.7 | 4.7 |
CC(1/2) | 0.977 | 0.694 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 30% PEG 400, 200 mM magnesium chloride and 100 mM HEPES, pH7.5 |