5ZPW
Generation of a long-acting fusion inhibitor against HIV-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-23 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.98 |
Spacegroup name | I 4 |
Unit cell lengths | 84.737, 84.737, 66.144 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.626 - 2.199 |
R-factor | 0.2409 |
Rwork | 0.240 |
R-free | 0.26260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vu6 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.057 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.184 | 2.278 |
High resolution limit [Å] | 2.199 | 2.199 |
Rmerge | 0.097 | 0.611 |
Number of reflections | 11745 | |
<I/σ(I)> | 15.58 | |
Completeness [%] | 98.1 | |
Redundancy | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | PEG 400, magnesium chloride, 2-[4-(2-Hydroxyethyl)-1-piperazinyl]ethanesulfonic acid |