3NPI
Crystal structure of a TetR family regulatory protein (DIP1788) from CORYNEBACTERIUM DIPHTHERIAE at 2.96 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 | CCD |
Collection date | 2010-02-11 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97959,0.97925 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 137.238, 137.238, 54.725 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.713 - 2.960 |
R-factor | 0.2016 |
Rwork | 0.201 |
R-free | 0.22190 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 0.320 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (BUSTER 2.8.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.713 | 3.080 | |
High resolution limit [Å] | 2.960 | 6.340 | 2.970 |
Rmerge | 0.056 | 0.024 | 0.743 |
Rmeas | 0.066 | 0.028 | 0.863 |
Total number of observations | 93470 | ||
Number of reflections | 12584 | 2455 | 2496 |
<I/σ(I)> | 17.06 | 45.8 | 1.8 |
Completeness [%] | 99.7 | 98.6 | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.86 | 277 | 1.7100M ammonium sulfate, 10.0000% Dioxane, 0.1M MES pH 6.86, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP |