2WLC
Crystallographic analysis of the polysialic acid O-acetyltransferase OatWY
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-24 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | F 41 3 2 |
Unit cell lengths | 199.635, 199.635, 199.635 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.950 |
R-factor | 0.17421 |
Rwork | 0.172 |
R-free | 0.20885 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN-HOUSE STRUCTURE |
RMSD bond length | 0.014 |
RMSD bond angle | 1.536 |
Data reduction software | HKL |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.090 | 0.450 |
Number of reflections | 25297 | |
<I/σ(I)> | 68 | 10.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 46.9 | 47.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 100 MM SODIUM ACETATE TRIHYDRATE, PH 4.6, 1.0 M AMMONIUM PHOSPHATE MONOBASIC, 100 MM LITHIUM SULFATE MONOHYDRATE |