1JNX
Crystal structure of the BRCT repeat region from the breast cancer associated protein, BRCA1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-02-04 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 114.844, 114.844, 122.111 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 2.500 |
R-factor | 0.262 |
Rwork | 0.259 |
R-free | 0.30200 |
Structure solution method | MAD |
RMSD bond length | 0.017 * |
RMSD bond angle | 1.810 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.570 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.048 * | 0.292 * |
Total number of observations | 209566 * | |
Number of reflections | 16968 | |
Completeness [%] | 99.8 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 20-23 * | Lithium sulphate, Nickel sulphate, calcium chloride, Tris, pH 8.5,VAPOR DIFFUSION, HANGING DROP at 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 18 (mg/ml) | |
2 | 1 | reservoir | 0.8 (M) | ||
3 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.5 |
4 | 1 | reservoir | 2.5 (mM) | ||
5 | 1 | reservoir | 5 (mM) |