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 |
