4MVA
1.43 Angstrom Resolution Crystal Structure of Triosephosphate Isomerase (tpiA) from Escherichia coli in Complex with Acetyl Phosphate.
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 | 2013-03-03 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.535, 67.529, 150.336 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.240 - 1.430 |
R-factor | 0.13567 |
Rwork | 0.135 |
R-free | 0.15614 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tre |
RMSD bond length | 0.010 |
RMSD bond angle | 1.471 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0046) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.450 |
High resolution limit [Å] | 1.430 | 1.430 |
Rmerge | 0.062 | 0.534 |
Number of reflections | 88659 | |
<I/σ(I)> | 22.7 | 3.4 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.1 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | Protein: 7.4mg/mL, 0.15M Sodium cloride, 0.01M Tris-HCl pH 8.3; Screen: Classics II (F11), 0.2M Sodium chloride, 0.1M Bis-Tris pH 6.5, 25% (w/v) PEG 3350, 10mM ACP, VAPOR DIFFUSION, SITTING DROP, temperature 295K |