5LB9
Structure of the T175V Etr1p mutant in the monoclinic form P21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-01 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.73913 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.416, 101.861, 81.593 |
Unit cell angles | 90.00, 101.01, 90.00 |
Refinement procedure
Resolution | 42.977 - 2.100 |
R-factor | 0.1537 |
Rwork | 0.152 |
R-free | 0.18590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4w99 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.893 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.470 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.059 | 0.430 |
Number of reflections | 60612 | |
<I/σ(I)> | 11.8 | 2.5 |
Completeness [%] | 96.2 | 91.5 |
Redundancy | 3.3 | 3.1 |
CC(1/2) | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 298 | Etr1p was crystallized at 15 mg/mL with 5 mM NADP and 5 mM of crotonyl-CoA in the gel filtration buffer (100 mM NaCl, 20 mM Tris-HCl pH 7.9). Crystals appeared after several days in 1.85 M (NH4)2SO4, 100 mM ADA pH 6.4 using streak seeding |