4XLL
Toxoplasma gondii DJ-1, oxidized
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979450 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.777, 55.181, 75.247 |
Unit cell angles | 90.00, 93.92, 90.00 |
Refinement procedure
Resolution | 38.690 - 2.080 |
R-factor | 0.1736 |
Rwork | 0.169 |
R-free | 0.21880 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.668 |
Data reduction software | XDS (VERSION July 4, 2012) |
Data scaling software | XSCALE (VERSION July 4, 2012) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.693 | 2.140 | |
High resolution limit [Å] | 2.080 | 9.310 | 2.080 |
Rmerge | 0.092 | 0.024 | 0.338 |
Rmeas | 0.099 | 0.026 | 0.368 |
Total number of observations | 127624 | ||
Number of reflections | 18638 | 232 | 1258 |
<I/σ(I)> | 16.96 | 58.35 | 5.25 |
Completeness [%] | 97.2 | 98.7 | 90.3 |
Redundancy | 6.84 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 1:1 5mg/mL protein in 10 mM HEPES 7.0, 100 mM NaCl, 10 mM DTT mixed with reservoir: 1.5 M ammonium citrate tribasic |