5TQL
Crystal structure of TIM-Barrel protein HisF-C9S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-24 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.54 |
Spacegroup name | P 61 |
Unit cell lengths | 96.505, 96.505, 154.228 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.920 - 1.900 |
R-factor | 0.1901 |
Rwork | 0.189 |
R-free | 0.22040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1thf |
RMSD bond length | 0.007 |
RMSD bond angle | 0.794 |
Data reduction software | XPREP (2008/2) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 22.920 | 22.920 | 1.930 |
High resolution limit [Å] | 1.900 | 5.170 | 1.900 |
Rmerge | 0.087 | 0.039 | 0.451 |
Total number of observations | 484279 | ||
Number of reflections | 64207 | ||
<I/σ(I)> | 14.08 | ||
Completeness [%] | 99.9 | 98.6 | 98.9 |
Redundancy | 7.53 | 12.5 | 3.05 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M Tris, pH 7.5, 25% PEG 3350 |