3LCI
The D-sialic acid aldolase mutant V251W
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-23 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97622 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 121.074, 121.074, 195.945 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.050 - 2.120 |
R-factor | 0.209245 |
Rwork | 0.208 |
R-free | 0.23860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB enrty 1NAL |
RMSD bond length | 0.006 |
RMSD bond angle | 1.264 |
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 | 2.200 |
High resolution limit [Å] | 2.120 | 2.120 |
Rmerge | 0.047 | 0.226 |
Number of reflections | 93161 | |
<I/σ(I)> | 45.7 | 8.4 |
Completeness [%] | 98.5 | 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 |