4Y90
Crystal structure of Triosephosphate Isomerase from Deinococcus radiodurans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-03-04 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 2 |
Unit cell lengths | 169.620, 169.620, 202.266 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.133 - 2.100 |
R-factor | 0.1382 |
Rwork | 0.136 |
R-free | 0.18560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yya |
RMSD bond length | 0.011 |
RMSD bond angle | 1.296 |
Data reduction software | CrystalClear |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.133 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.097 | 0.464 |
Number of reflections | 64962 | |
<I/σ(I)> | 11 | 2.9 |
Completeness [%] | 99.7 | 98.6 |
Redundancy | 4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291.15 | 1.8 M ammonium sulfate, 0.1 M sodium citrate tribasic pH 5.6, 0.2 M potassium sodium tartrate |