2YW4
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 | ROTATING ANODE |
Source details | RIGAKU FR-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-05-22 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 2 |
Unit cell lengths | 66.686, 66.686, 241.301 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.800 - 2.530 |
R-factor | 0.171 |
Rwork | 0.164 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mxs |
RMSD bond length | 0.033 |
RMSD bond angle | 2.580 |
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] | 30.800 | 2.620 |
High resolution limit [Å] | 2.530 | 2.530 |
Rmerge | 0.055 | 0.298 |
Number of reflections | 7273 | |
<I/σ(I)> | 33.47 | 8.55 |
Completeness [%] | 99.9 | 100 |
Redundancy | 10.1 | 10.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 301 | 0.2M Calcium Chloride dihydrate, 0.1M Sodium Acetate trihydrate, 20% v/v iso-Propanol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 301K |