6I29
X-ray structure of the p53-MDM2 inhibitor NMI801 bound to HDM2 at 2.1A resolution
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 | 2011-05-06 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.00070 |
Spacegroup name | I 41 3 2 |
Unit cell lengths | 121.883, 121.883, 121.883 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.270 - 2.100 |
R-factor | 0.2444 |
Rwork | 0.243 |
R-free | 0.27720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dij |
RMSD bond length | 0.008 |
RMSD bond angle | 1.049 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.270 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.057 | 0.361 |
Rmeas | 0.058 | 0.366 |
Rpim | 0.022 | 0.118 |
Number of reflections | 9337 | |
<I/σ(I)> | 45.1 | 11.3 |
Completeness [%] | 99.8 | 100 |
Redundancy | 36.5 | 38.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 298 | 2.1M (NH4)SO4, 0.1M Citrate pH 3.5 |