5TZQ
Crystal Structure of FPV039:Bmf BH3 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-02-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 123.602, 41.197, 67.825 |
Unit cell angles | 90.00, 93.14, 90.00 |
Refinement procedure
Resolution | 44.417 - 1.650 |
R-factor | 0.1757 |
Rwork | 0.174 |
R-free | 0.20460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hw4 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.782 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.910 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.050 | 1.090 |
Number of reflections | 40942 | |
<I/σ(I)> | 10.7 | 1.1 |
Completeness [%] | 99.9 | 98.6 |
Redundancy | 3.9 | 3.9 |
CC(1/2) | 1.000 | 0.684 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.2 | 293 | 0.2M Sodium formate pH7.2, 20% PEG3350 |