3CMY
Structure of a homeodomain in complex with DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12B |
Synchrotron site | NSLS |
Beamline | X12B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-01-25 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 43.325, 62.243, 92.556 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.500 - 1.950 |
R-factor | 0.17422 |
Rwork | 0.172 |
R-free | 0.21266 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IFJL |
RMSD bond length | 0.010 |
RMSD bond angle | 1.533 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 9726 | |
<I/σ(I)> | 27 | 3 |
Completeness [%] | 99.7 | 100 |
Redundancy | 7.6 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | 19-22% polyethylene glycol 8000, 100 mM ammonium sulphate, 20mM magnesium chloride, 15% 2-methyl-2,4-pentanediol, 50 mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, pH 7.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | polyethylene glycol 8000 | ||
10 | 1 | 2 | 2-methyl-2,4-pentanediol | ||
11 | 1 | 2 | 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid | ||
12 | 1 | 2 | H2O | ||
2 | 1 | 1 | ammonium sulphate | ||
3 | 1 | 1 | magnesium chloride | ||
4 | 1 | 1 | 2-methyl-2,4-pentanediol | ||
5 | 1 | 1 | 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid | ||
6 | 1 | 1 | H2O | ||
7 | 1 | 2 | polyethylene glycol 8000 | ||
8 | 1 | 2 | ammonium sulphate | ||
9 | 1 | 2 | magnesium chloride |