4JRG
The 1.9A crystal structure of humanized Xenopus MDM2 with RO5313109 - a pyrrolidine MDM2 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-06-02 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 73.542, 72.796, 43.865 |
Unit cell angles | 90.00, 111.78, 90.00 |
Refinement procedure
Resolution | 28.030 - 1.900 |
R-factor | 0.252 |
Rwork | 0.250 |
R-free | 0.28800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.000 |
Data reduction software | d*TREK |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | CNX (2005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.081 | 0.436 |
Number of reflections | 16829 | |
<I/σ(I)> | 6.9 | 2 |
Completeness [%] | 99.2 | 96.4 |
Redundancy | 3.3 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 278 | 50% SATURATED AMMONIUM SULFATE, 0.1M BIS-TRIS, PH 6.0, 5% PEG 550MME, 5 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 278K |