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. |