6B41
Menin bound to M-525
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-08-02 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9786 |
| Spacegroup name | I 41 |
| Unit cell lengths | 153.920, 153.920, 81.618 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.670 - 2.610 |
| R-factor | 0.211 |
| Rwork | 0.209 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u84 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.660 |
| High resolution limit [Å] | 2.610 | 7.080 | 2.610 |
| Rmerge | 0.102 | 0.049 | 0.665 |
| Rmeas | 0.106 | 0.052 | 0.696 |
| Rpim | 0.031 | 0.016 | 0.201 |
| Total number of observations | 350677 | ||
| Number of reflections | 29090 | 1521 | 1414 |
| <I/σ(I)> | 7.7 | ||
| Completeness [%] | 99.8 | 100 | 96.6 |
| Redundancy | 12.1 | 10.5 | 11 |
| CC(1/2) | 0.998 | 0.910 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 1.96 M NaCl, 89 mM Bis-Tris pH 6.8, 0.178 M MgCl2 and 10.7 mM Pr Acetate |
