1DKW
CRYSTAL STRUCTURE OF TRIOSE-PHOSPHATE ISOMERASE WITH MODIFIED SUBSTRATE BINDING SITE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR571 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1999-03-20 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.570, 88.530, 56.220 |
Unit cell angles | 90.00, 97.26, 90.00 |
Refinement procedure
Resolution | 22.000 - 2.650 |
R-factor | 0.186 |
Rwork | 0.183 |
R-free | 0.24200 |
RMSD bond length | 0.013 * |
Data reduction software | DENZO |
Data scaling software | CCP4 ((TRUNCATE)) |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.000 | 2.740 |
High resolution limit [Å] | 2.600 | 2.650 |
Rmerge | 0.087 * | 0.181 |
Number of reflections | 13258 * | |
<I/σ(I)> | 8.7 | |
Completeness [%] | 92.9 | 73.4 |
Redundancy | 3.6 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 5.5 | 277 | 1.0 M CITRIC ACID PH 6.5, 20% PEG6000, 2.5% T-BUTANOL, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | sodium citrate | 0.1 (M) | |
2 | 1 | reservoir | tertiary butanol | 5 (%) |