3PEJ
Crystal Structure of the N-terminal domain of an HSP90 from Plasmodium Falciparum, PFL1070c in the presence of Macbecin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-21 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97949 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 96.880, 96.880, 159.698 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.920 - 2.810 |
R-factor | 0.2414 |
Rwork | 0.239 |
R-free | 0.27930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3peh |
RMSD bond length | 0.009 |
RMSD bond angle | 1.070 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.910 |
High resolution limit [Å] | 2.810 | 6.050 | 2.810 |
Rmerge | 0.139 | 0.042 | 0.991 |
Number of reflections | 19268 | ||
<I/σ(I)> | 7.8 | 2 | |
Completeness [%] | 99.9 | 100 | 99.4 |
Redundancy | 7.6 | 7.3 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 30 % PEG 5K MME 0.2 M Ammonium sulfate 0.1 M MES pH 6.5 1 mM Mecbecin 4 mM MgCl2 2 mM TCEP ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |