5IBX
1.65 Angstrom Crystal Structure of Triosephosphate Isomerase (TIM) from Streptococcus pneumoniae
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 | 2014-06-16 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 1 |
Unit cell lengths | 78.845, 84.351, 92.463 |
Unit cell angles | 75.43, 65.97, 62.03 |
Refinement procedure
Resolution | 29.690 - 1.650 |
R-factor | 0.19796 |
Rwork | 0.196 |
R-free | 0.23154 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3m9y |
RMSD bond length | 0.011 |
RMSD bond angle | 1.458 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.083 | 0.622 |
Number of reflections | 225519 | |
<I/σ(I)> | 14.8 | 2.3 |
Completeness [%] | 97.1 | 95.5 |
Redundancy | 3.9 | 3.9 |
CC(1/2) | 0.757 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | Protein: 7.5mg/ml, 0.25M Sodium chloride, 0.01 M Tris-HCL buffer pH(8.3), 5mM BME; Screen: Classics II(F12), 0.2M Sodium chloride, 0.1M HEPES (pH 7.5), 25%(w/v) PEG 3350. |