5HMK
HDM2 in complex with a 3,3-Disubstituted Piperidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-09-29 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.160, 39.510, 133.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.750 - 2.170 |
R-factor | 0.2299 |
Rwork | 0.228 |
R-free | 0.26120 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 2.150 |
Rmerge | 0.077 |
Number of reflections | 10960 |
<I/σ(I)> | 14.3 |
Completeness [%] | 95.7 |
Redundancy | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 303 | 1.8-2.2 M ammonium sulfate, 100 mM Na Citrate/citric acid |