5DDA
Menin in complex with MI-333
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-08-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.133, 79.998, 124.668 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.030 - 1.830 |
R-factor | 0.166 |
Rwork | 0.164 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gpq |
RMSD bond length | 0.018 |
RMSD bond angle | 1.734 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
High resolution limit [Å] | 1.830 | 4.970 | 1.830 |
Rmerge | 0.090 | 0.057 | 0.729 |
Total number of observations | 298324 | ||
Number of reflections | 43420 | ||
<I/σ(I)> | 6.6 | ||
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 6.9 | 6.6 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 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 |