4KE3
Crystal structure of a glutathione transferase family member from Burkholderia graminis, target efi-507264, no gsh, disordered domains, space group P21, form(2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-17 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.211, 56.141, 98.299 |
Unit cell angles | 90.00, 91.35, 90.00 |
Refinement procedure
Resolution | 32.757 - 1.900 |
R-factor | 0.155 |
Rwork | 0.153 |
R-free | 0.19880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kdx |
RMSD bond length | 0.012 |
RMSD bond angle | 1.327 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 1.930 |
High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
Rmerge | 0.063 | 0.043 | 0.434 |
Number of reflections | 68251 | ||
<I/σ(I)> | 9.4 | ||
Completeness [%] | 99.8 | 98.9 | 99.4 |
Redundancy | 3.6 | 3.7 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | Protein (10 mM Hepes pH 7.5, 150 mM NaCl, 5% glycerol, 5 mM GSH); Reservoir (0.15 M DL-Malic Acid, 20 %(w/v) PEG 3350); Cryoprotection (reservoir + 20% ethylene glycol), VAPOR DIFFUSION, SITTING DROP, temperature 298K |