1RPN
Crystal Structure of GDP-D-mannose 4,6-dehydratase in complexes with GDP and NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 5ID-B |
Synchrotron site | APS |
Beamline | 5ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-04-13 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 125.730, 125.730, 220.025 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.200 * |
R-factor | 0.176 |
Rwork | 0.174 |
R-free | 0.19500 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1n7h |
RMSD bond length | 0.005 |
RMSD bond angle | 23.000 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.230 |
High resolution limit [Å] | 2.200 * | 2.150 |
Rmerge | 0.039 * | 0.076 * |
Number of reflections | 108095 | |
<I/σ(I)> | 20 | |
Completeness [%] | 98.3 | 92.8 |
Redundancy | 5 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | MPD, Tris, ammonium phosphate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | MPD | 50 (%) | |
2 | 1 | reservoir | Tris | 100 (mM) | pH8.5 |
3 | 1 | reservoir | 200 (mM) | ||
4 | 1 | drop | Tris | 20 (mM) | pH8.5 |
5 | 1 | drop | 1 (mM) | ||
6 | 1 | drop | protein | 10 (mM) |