6HX7
Crystal structure of human R180T variant of ORNITHINE AMINOTRANSFERASE at 1.8 Angstrom
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-17 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.999995 |
Spacegroup name | P 31 1 2 |
Unit cell lengths | 193.252, 193.252, 57.211 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.000 - 1.800 |
R-factor | 0.2212 |
Rwork | 0.221 |
R-free | 0.22770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oat |
RMSD bond length | 0.021 |
RMSD bond angle | 1.473 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.310 | 48.310 | 1.830 |
High resolution limit [Å] | 1.800 | 9.860 | 1.800 |
Rmerge | 0.136 | 0.058 | 0.398 |
Rmeas | 0.145 | 0.062 | 0.444 |
Rpim | 0.049 | 0.019 | 0.192 |
Number of reflections | 110536 | 719 | 5303 |
<I/σ(I)> | 7.6 | ||
Completeness [%] | 98.7 | 98.9 | 96.2 |
Redundancy | 8 | 10.6 | 5 |
CC(1/2) | 0.997 | 0.999 | 0.940 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | Prot 115uM in 150mM NaCl 50mM Hepes pH 8.0 mixed with hit 1-5 of the LMB screen (Molecular Dimensions): 4 M Ammonium acetate 0.1 M Bis-Tris propane 7.0 (cryo + Glycerol 20%) |