1Q6Q
Structure of 3-keto-L-gulonate 6-phosphate decarboxylase with bound xylitol 5-phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-04-03 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.987 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 123.182, 41.727, 92.125 |
Unit cell angles | 90.00, 95.87, 90.00 |
Refinement procedure
Resolution | 30.000 * - 1.690* |
R-factor | 0.1735 |
Rwork | 0.172 |
R-free | 0.20600 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.700 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.1.19) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.750 |
High resolution limit [Å] | 1.690 * | 1.690 * |
Rmerge | 0.060 * | 0.227 * |
Total number of observations | 526555 * | |
Number of reflections | 49731 * | |
<I/σ(I)> | 27.8 | 5.8 |
Completeness [%] | 95.4 | 82.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch method * | 7 | 298 | 15% MePEG 2000, 50 mM BTP pH 7.0, 5 mM MgCl2, microbatch, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | HEPES | 50 (mM) | pH7.5 |
2 | 1 | 1 | 5 (mM) | ||
3 | 1 | 1 | 100 (mM) | ||
4 | 1 | 1 | protein | 15 (mg/ml) | |
5 | 1 | 1 | BTP | 100 (mM) | pH7.0 |
6 | 1 | 1 | 5 (mM) | ||
7 | 1 | 1 | PEG5000 ME | 16 (%) |