6C2G
Human triosephosphate isomerase mutant V231M
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 48.073, 63.452, 334.622 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.890 - 2.300 |
| R-factor | 0.21547 |
| Rwork | 0.215 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jk2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.333 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.890 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.067 | 0.378 |
| Number of reflections | 46899 | 4502 |
| <I/σ(I)> | 15.5 | 4.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6 | 5.4 |
| CC(1/2) | 0.990 | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 0.2 M Magnesium chloride hexahydrate, 0.1 M TRIS hydrochloride pH 8.5, 30% w/v Polyethylene glycol 4,000. |
