5YER
Regulatory domain of HypT from Salmonella typhimurium (Bromide ion-bound)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-04 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.92000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.142, 64.121, 100.485 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.062 - 2.301 |
R-factor | 0.2147 |
Rwork | 0.209 |
R-free | 0.26070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ydo |
RMSD bond length | 0.002 |
RMSD bond angle | 0.470 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 | 2.340 |
High resolution limit [Å] | 2.300 | 2.340 | 2.300 |
Rmerge | 0.100 | 0.271 | 0.255 |
Rpim | 0.033 | 0.154 | 0.155 |
Number of reflections | 18048 | 843 | 716 |
<I/σ(I)> | 15.6 | 3.17 | 2.86 |
Completeness [%] | 96.0 | 91.9 | 77.3 |
Redundancy | 6.8 | 3.1 | 2.6 |
CC(1/2) | 0.695 | 0.676 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 287 | 0.2M lithium sulfate, 0.1M sodium cacodylate (pH 6.5), 0.15M NaBr, 28%(v/v) PEG400. |