3IK7
Human glutathione transferase a4-4 with GSDHN
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 | CCD |
Collection date | 2009-01-29 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.023, 153.041, 60.831 |
Unit cell angles | 90.00, 103.10, 90.00 |
Refinement procedure
Resolution | 76.470 - 1.970 |
R-factor | 0.209 |
Rwork | 0.206 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gul |
RMSD bond length | 0.012 |
RMSD bond angle | 1.335 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0047) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.129 | 0.717 |
Number of reflections | 79642 | |
<I/σ(I)> | 11.762 | |
Completeness [%] | 96.7 | 74.2 |
Redundancy | 4.7 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 24% PEG 4000, 0.1 M sodium acetate trihydrate, pH 4.6, and 0.2 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |