2YW3
Crystal Structure Analysis of the 4-hydroxy-2-oxoglutarate aldolase/2-deydro-3-deoxyphosphogluconate aldolase from TTHB1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45PX |
Synchrotron site | SPring-8 |
Beamline | BL45PX |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-04-12 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 0.97937 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 125.922, 72.685, 161.312 |
Unit cell angles | 90.00, 91.07, 90.00 |
Refinement procedure
Resolution | 35.580 - 1.670 |
R-factor | 0.185 |
Rwork | 0.182 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mxs |
RMSD bond length | 0.014 |
RMSD bond angle | 1.533 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.600 | 1.730 |
High resolution limit [Å] | 1.670 | 1.670 |
Rmerge | 0.079 | 0.303 |
Number of reflections | 145847 | |
<I/σ(I)> | 11.39 | 3.52 |
Completeness [%] | 86.3 | 65.9 |
Redundancy | 2.7 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.1 | 301 | 0.4M Potassium sodium tartrate tetrahydrate, pH 4.1, VAPOR DIFFUSION, HANGING DROP, temperature 301K |