3LCG
The D-sialic acid aldolase mutant V251L
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 | 121.261, 121.261, 197.712 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.010 - 1.780 |
R-factor | 0.17429 |
Rwork | 0.173 |
R-free | 0.19500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB enrty 1NAL |
RMSD bond length | 0.005 |
RMSD bond angle | 1.266 |
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 | 1.840 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.046 | 0.628 |
Number of reflections | 160580 | |
<I/σ(I)> | 39.2 | 2.6 |
Completeness [%] | 99.6 | 98.2 |
Redundancy | 6.6 | 6.4 |
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 |