2YWR
Crystal structure of GAR transformylase from Aquifex aeolicus
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-08 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 0.9789, 0.9000, 0.9794 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 59.955, 59.955, 105.934 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.400 - 1.770 |
R-factor | 0.204 |
Rwork | 0.204 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jkx |
RMSD bond length | 0.011 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.880 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.073 | 0.277 |
Number of reflections | 19518 | |
Completeness [%] | 99.1 | 96 |
Redundancy | 3.6 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.005M Cobalt Chloride hexahydrate, 0.005M Nickel(II) Chloride hexahydrate, 0.005M Cadmium Chloride hexahydrate, 0.005M Magnesium Chloride hexahydrate, 0.1M HEPES, 12% w/v Polyethylene Glycol 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |