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 |
