6BGN
Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-08-07 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.03 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.413, 88.011, 112.674 |
| Unit cell angles | 90.00, 98.26, 90.00 |
Refinement procedure
| Resolution | 43.290 - 1.510 |
| R-factor | 0.1183 |
| Rwork | 0.116 |
| R-free | 0.16940 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.269 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.510 |
| Number of reflections | 131636 |
| <I/σ(I)> | 32.2 |
| Completeness [%] | 99.6 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 100 mM MES, pH 6.5, with 20% PEG 4600 (w/v), and 0.1 M sodium nitrate |
