6BUI
Crystal structure of a membrane protein, crystal form III
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 140.182, 242.062, 96.235 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 121.310 - 3.270 |
R-factor | 0.2812 |
Rwork | 0.280 |
R-free | 0.30030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6bug |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 121.310 | 3.400 |
High resolution limit [Å] | 3.270 | 3.300 |
Number of reflections | 47040 | 4083 |
<I/σ(I)> | 11.5 | 1.4 |
Completeness [%] | 97.5 | 98.1 |
Redundancy | 3.8 | 3.2 |
CC(1/2) | 0.563 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 100mM HEPES pH7.5, 200mM sodium citrate tribasic dihydrate, 3% (w/v) 1,5-diaminopentane dihydrochloride, 27% (w/v) PEG 400 |