1MD0
CRYSTAL STRUCTURE OF AN INHIBITED FRAGMENT OF Ets-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-02-01 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5415 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.350, 66.670, 83.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 * - 2.000 |
Rwork | 0.209 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k79 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.120 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.055 | 0.176 |
Number of reflections | 19649 | |
<I/σ(I)> | 21.4 | 4.9 |
Completeness [%] | 94.4 | 68.3 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 298 | 50mM Sodium Citrate, 20% Peg4000, 100mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 0.27 (mM) | |
2 | 1 | drop | 50 (mM) | ||
3 | 1 | drop | Tris | 10 (mM) | pH8.0 |
4 | 1 | reservoir | sodium citrate | 50 (mM) | |
5 | 1 | reservoir | MES | 100 (mM) | pH6.5 |
6 | 1 | reservoir | PEG4000 | 20 (%) |