5IXB
Structure of human Melanoma Inhibitory Activity (MIA) Protein in complex with Pyrimidin-2-amine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-12-09 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97962 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.440, 47.480, 87.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.745 - 1.390 |
R-factor | 0.1337 |
Rwork | 0.132 |
R-free | 0.15980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1i1j |
RMSD bond length | 0.010 |
RMSD bond angle | 1.105 |
Data scaling software | XSCALE (VERSION July 4, 2012 BUILT=20130617) |
Phasing software | MOLREP (Vers 11.2.05; 31.07.2013) |
Refinement software | PHENIX (1.10-2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.430 | |
High resolution limit [Å] | 1.390 | 6.220 | 1.390 |
Rmerge | 0.053 | 0.048 | 0.249 |
Number of reflections | 40375 | ||
<I/σ(I)> | 28.53 | 46.98 | 6.66 |
Completeness [%] | 99.6 | 100 | 96.2 |
Redundancy | 12 | ||
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 100 mM Tris/HCl, pH 8.2, 20% MPD, 8% PEG 8000 |