3K0H
The crystal structure of BRCA1 BRCT in complex with a minimal recognition tetrapeptide with an amidated C-terminus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-01-21 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 115.075, 115.075, 123.255 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.440 - 2.700 |
| R-factor | 0.25 |
| Rwork | 0.247 |
| R-free | 0.29600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.105 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.740 |
| High resolution limit [Å] | 2.650 | 5.710 | 2.650 |
| Rmerge | 0.063 | 0.040 | 0.513 |
| Number of reflections | 14444 | ||
| <I/σ(I)> | 16.1 | ||
| Completeness [%] | 99.1 | 92.9 | 99.4 |
| Redundancy | 6.8 | 6.1 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.3 | 298 | Tris-HCl, Li2SO4, NiCl2, pH 7.3, VAPOR DIFFUSION, temperature 298K |
