3LLN
Comparison between the orthorhombic an tetragonal form of the heptamer sequence d(GCG(xT)GCG)/d(CGCACGC).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-09-06 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9537 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 25.482, 25.482, 81.147 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.150 - 3.000 |
R-factor | 0.22599 |
Rwork | 0.226 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3FL6 (one biological unit) |
RMSD bond length | 0.012 |
RMSD bond angle | 1.943 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.550 | 3.160 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.105 | 0.174 |
Number of reflections | 681 | |
<I/σ(I)> | 10.6 | 4.5 |
Completeness [%] | 99.6 | 100 |
Redundancy | 11.4 | 12.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 289 | 10%(V/V) 2-METHYL-2,4-PENTANEDIOL(MPD), 20MM COBALT HEXAMINE, 40MM POTASSIUM CACODYLATE BUFFERED AT PH=5.5, AND 80/12MM KCL/NACL, VAPOR DIFFUSION, HANGING DROP, temperature 289K |