4L8N
Crystal structure of a PDZ domain protein (BDI_1242) from Parabacteroides distasonis ATCC 8503 at 2.50 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97882,0.91837 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 104.093, 104.093, 96.277 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.138 - 2.500 |
R-factor | 0.1879 |
Rwork | 0.186 |
R-free | 0.21950 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | XDS |
Data scaling software | XSCALE (July 4, 2012) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.138 | 48.140 | 2.570 |
High resolution limit [Å] | 2.500 | 11.180 | 2.500 |
Rmerge | 0.067 | 0.030 | 1.147 |
Number of reflections | 21215 | 282 | 1544 |
<I/σ(I)> | 16.46 | 48.2 | 1.58 |
Completeness [%] | 99.5 | 97.6 | 99.5 |
Redundancy | 6.55 | 6.66 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 42.00% Ethanol, 0.0500M magnesium chloride, 0.1M TRIS pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |