2V6K
Structure of Maleyl Pyruvate Isomerase, a bacterial glutathione-s- transferase in Zeta class, in complex with substrate analogue dicarboxyethyl glutathione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-07-22 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.659, 60.340, 81.680 |
Unit cell angles | 90.00, 93.22, 90.00 |
Refinement procedure
Resolution | 43.110 - 1.300 |
R-factor | 0.151 |
Rwork | 0.150 |
R-free | 0.16500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2C1R |
RMSD bond length | 0.006 |
RMSD bond angle | 1.192 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.600 | 1.270 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.030 | 0.400 |
Number of reflections | 394142 | |
<I/σ(I)> | 16.8 | 2.3 |
Completeness [%] | 74.7 | 11.9 |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | MOTHER LIQOUR: RESERVOIR SOLUTION: DROP: 1 UL MOTHERLIQUOR, I UL RESERVOIR, 1 UL BENZAMIDINE, pH 7.5 |