6BXH
Menin in complex with MI-853
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-02 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.0331 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.034, 78.118, 121.326 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.900 - 2.445 |
R-factor | 0.202 |
Rwork | 0.190 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4x5y |
RMSD bond length | 0.004 |
RMSD bond angle | 0.710 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.445 | 2.445 |
Rmerge | 0.136 | 0.810 |
Number of reflections | 17430 | |
<I/σ(I)> | 16.7 | |
Completeness [%] | 99.5 | |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 283 | 0.2 M ammonium acetate, 0.1 M HEPES and 25% w/v PEG 3,350. This solution was mixed 1:1 with 2.5mg/mL protein in 50mM Tris-HCl, 50mM NaCl, and 1mM TCEP. Prior to data collection, crystals were transferred into a cryo-solution containing 20% PEG550 MME and flash-frozen in liquid nitrogen |