3P8H
Crystal structure of L3MBTL1 (MBT repeat) in complex with a nicotinamide antagonist
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 | CCD |
| Collection date | 2010-09-22 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97911 |
| Spacegroup name | P 32 |
| Unit cell lengths | 106.264, 106.264, 90.144 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.770 - 2.550 |
| R-factor | 0.194 |
| Rwork | 0.191 |
| R-free | 0.24240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rjc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.177 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.6.0081) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
| High resolution limit [Å] | 2.550 | 5.490 | 2.550 |
| Rmerge | 0.118 | 0.050 | 0.533 |
| Number of reflections | 37137 | ||
| <I/σ(I)> | 7 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 3 | 3.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 25% PEG3350, 0.1M Ammonium sulfate, 0.1M Bis-Tris pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
