2NUX
2-keto-3-deoxygluconate aldolase from Sulfolobus acidocaldarius, native structure in p6522 at 2.5 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-11 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.934 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 109.509, 109.509, 319.559 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.000 - 2.500 |
R-factor | 0.177 |
Rwork | 0.175 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nuw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.340 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.000 | 2.550 | |
High resolution limit [Å] | 2.500 | 6.000 | 2.500 |
Rmerge | 0.155 | 0.077 | 0.390 |
Number of reflections | 36273 | ||
<I/σ(I)> | 23.77 | 47.4 | 8 |
Completeness [%] | 90.1 | 98.6 | 53 |
Redundancy | 33.1 | 19.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 30% PEG400, 0.1M HEPES, 0.2M Magnesium Chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |