5A9I
Crystal structure of the extracellular domain of PepT2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-06 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 95.750, 95.750, 165.930 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.870 - 2.840 |
R-factor | 0.1954 |
Rwork | 0.193 |
R-free | 0.24640 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.290 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.000 | 2.960 |
High resolution limit [Å] | 2.810 | 2.810 |
Rmerge | 0.150 | 1.040 |
Number of reflections | 21317 | |
<I/σ(I)> | 12.7 | 2.3 |
Completeness [%] | 99.4 | 69.7 |
Redundancy | 14 | 10 |
CC(1/2) | 0.999 | 0.697 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M (NH4)3 CITRATE PH 5.8, 21 % PEG 3350. 10 MG.ML AT 20 DEGREES CELCIUS |