4J3E
The 1.9A crystal structure of humanized Xenopus Mdm2 with nutlin-3a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-04-19 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 42.887, 67.657, 67.173 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.630 - 1.910 |
R-factor | 0.196 |
Rwork | 0.194 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNX (2005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.980 |
High resolution limit [Å] | 1.910 | 4.110 | 1.910 |
Rmerge | 0.039 | 0.030 | 0.064 |
Number of reflections | 7488 | ||
<I/σ(I)> | 46.1 | 53.8 | 29.8 |
Completeness [%] | 95.3 | 89.8 | 85.9 |
Redundancy | 3.8 | 3.9 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 278 | 100 mM ADA, pH 6, 50% SATURATED AMMONIUM SULFATE, 5% PEG200, 5 mM DTT RESERVOIR MIXED IN EQUAL VOLUME WITH THE PROTEIN AT 10 mg/mL, VAPOR DIFFUSION, HANGING DROP, temperature 278K |