1SO4
Crystal structure of K64A mutant of 3-keto-L-gulonate 6-phosphate decarboxylase with bound L-threonohydroxamate 4-phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-01-01 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.961 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 122.976, 41.900, 91.322 |
Unit cell angles | 90.00, 96.92, 90.00 |
Refinement procedure
Resolution | 91.290 - 1.700 |
R-factor | 0.16402 |
Rwork | 0.162 |
R-free | 0.20456 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.610 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.19) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 91.290 |
High resolution limit [Å] | 1.575 |
Rmerge | 0.063 |
Number of reflections | 62079 |
<I/σ(I)> | 25.6 |
Completeness [%] | 99.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7 | 293 | 16% PEG 5000 methyl ether, 100 mM BTP pH 7.0, 5 mM MgCl2, Microbatch, temperature 293K |