3VA4
Crystal structure of the mammalian MDC1 FHA domain complexed with CHK2 pThr68 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 28.508, 70.224, 101.335 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.540 |
| R-factor | 0.1616 |
| Rwork | 0.159 |
| R-free | 0.20465 |
| Structure solution method | SAD |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.293 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.720 | 1.600 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.037 | 0.508 |
| Number of reflections | 30878 | |
| <I/σ(I)> | 31.5 | 2.2 |
| Completeness [%] | 99.3 | 99.3 |
| Redundancy | 4.6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 293 | 1.26M (NH4)2SO4, 0.2M NaCl, 0.1M CHES, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
