3LCW
L-KDO aldolase complexed with hydroxypyruvate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL12B2 |
Synchrotron site | SPring-8 |
Beamline | BL12B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-26 |
Detector | ADSC QUANTUM 4r |
Wavelength(s) | 1.0 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 120.828, 120.828, 195.879 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.830 - 2.350 |
R-factor | 0.23763 |
Rwork | 0.236 |
R-free | 0.27430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB enrty 1NAL |
RMSD bond length | 0.006 |
RMSD bond angle | 1.309 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.064 | 0.623 |
Number of reflections | 69521 | |
<I/σ(I)> | 34.4 | 3.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.1 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 2.0M ammonium sulfate, 0.1M Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |