3AW8
Crystal structure of N5-carboxyaminoimidazole ribonucleotide synthetase from Thermus thermophilus HB8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-01 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 41 |
Unit cell lengths | 81.260, 81.260, 203.163 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.060 - 2.600 |
R-factor | 0.209 |
Rwork | 0.209 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.078 | 0.331 |
Number of reflections | 40330 | |
<I/σ(I)> | 12.8 | 4 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.2 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 4.3M sodium chloride, 0.1M sodium-HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |