3LCH
The D-sialic acid aldolase mutant V251R
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 | 122.139, 122.139, 198.893 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.200 - 2.040 |
R-factor | 0.19189 |
Rwork | 0.190 |
R-free | 0.22020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB enrty 1NAL |
RMSD bond length | 0.005 |
RMSD bond angle | 1.268 |
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 | 2.110 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.074 | 0.458 |
Number of reflections | 109625 | |
<I/σ(I)> | 30.4 | 3.7 |
Completeness [%] | 99.8 | 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 |