2JL4
Holo structure of Maleyl Pyruvate Isomerase, a bacterial glutathione- s-transferase in Zeta class
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-02-01 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.332, 81.733, 88.187 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.630 - 2.300 |
| R-factor | 0.214 |
| Rwork | 0.211 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fw1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.108 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | BEAST |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.120 | 0.330 |
| Number of reflections | 19625 | |
| Completeness [%] | 97.3 | 93.8 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 20% PEG 10K IN 0.1 M HEPES BUFFER AT PH 7.5, PROTEIN IN 20MM TRIS (PH 7.4), 2 MM GLUTATHIONE, 1 MM DTT AND 20 MM IMIDAZOLE |
