3RLP
Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 98 |
Detector technology | CCD |
Collection date | 2009-04-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.583, 79.305, 118.471 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.830 - 1.700 |
R-factor | 0.197 |
Rwork | 0.196 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.900 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNX |
Refinement software | CNX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.068 | 0.287 |
Number of reflections | 89669 | |
<I/σ(I)> | 15.1 | 4.8 |
Completeness [%] | 99.3 | 99.7 |
Redundancy | 4.2 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.3 | 286 | 5% Ethylene glycol, 0.1 M phosphate-citrate, pH 4.3, 20 mM TCEP, 13 C, VAPOR DIFFUSION, HANGING DROP, temperature 286K |