1XBX
Structure of 3-keto-L-gulonate 6-phosphate decarboxylase E112D/R139V/T169A mutant with bound D-ribulose 5-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 | 2004-04-01 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.961 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 123.000, 41.831, 91.068 |
Unit cell angles | 90.00, 97.47, 90.00 |
Refinement procedure
Resolution | 90.000 - 1.810 |
R-factor | 0.14249 |
Rwork | 0.141 |
R-free | 0.17762 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.547 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.081 | 0.240 |
Number of reflections | 42532 | |
<I/σ(I)> | 17.9 | 4.3 |
Completeness [%] | 99.8 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 16% PEG 5000 methyl ether, 100 mM BTP, 5 mM MgCl2, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |