3LBC
D-sialic acid aldolase complexed with L-arabinose
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 | 2008-01-26 |
Detector | ADSC QUANTUM 4r |
Wavelength(s) | 1.00 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 121.174, 121.174, 199.510 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.240 - 1.850 |
R-factor | 0.18897 |
Rwork | 0.188 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB enrty 1NAL |
RMSD bond length | 0.005 |
RMSD bond angle | 1.311 |
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 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.054 | 0.764 |
Number of reflections | 143303 | |
<I/σ(I)> | 35.8 | 2.8 |
Completeness [%] | 99.0 | 100 |
Redundancy | 5.5 | 5.6 |
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 |