4FQ7
Crystal structure of the maleate isomerase Iso from Pseudomonas putida S16
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-01 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 66.469, 66.469, 413.839 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 3.000 |
| R-factor | 0.2437 |
| Rwork | 0.241 |
| R-free | 0.30050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.037 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.060 |
| High resolution limit [Å] | 2.950 | 6.350 | 2.950 |
| Rmerge | 0.074 | 0.030 | 0.436 |
| Number of reflections | 43048 | ||
| <I/σ(I)> | 11.9 | ||
| Completeness [%] | 99.9 | 99.3 | 100 |
| Redundancy | 10.8 | 10.6 | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 287 | 1.4M (NH4)2SO4, 120mM NaCl, 0.1M HEPES, pH 7.5, vapor diffusion, hanging drop, temperature 287K |
