1N13
The Crystal Structure of Pyruvoyl-dependent Arginine Decarboxylase from Methanococcus jannashii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F2 |
Synchrotron site | CHESS |
Beamline | F2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-01-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.980 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.460, 92.880, 87.110 |
Unit cell angles | 90.00, 94.74, 90.00 |
Refinement procedure
Resolution | 29.160 - 1.400 |
R-factor | 0.1915 |
Rwork | 0.192 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.270 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.160 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.063 | 0.229 |
Total number of observations | 290225 * | |
Number of reflections | 105327 * | |
<I/σ(I)> | 11.2 | 2.6 |
Completeness [%] | 59.9 | 0.044 * |
Redundancy | 2.7 | 1.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG 2000, 2-methyl-2,4-pentanediol, glycerol, n-[2-hydroxyethyl]piperazine-N'-[2-ethanesulfonic acid], beta-octyl glucoside, putrescine, ethylenediaminetetraacetic acid, dithiothreitol, arginine methyl ester, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG 2000, 2-methyl-2,4-pentanediol, glycerol, n-[2-hydroxyethyl]piperazine-N'-[2-ethanesulfonic acid], beta-octyl glucoside, putrescine, ethylenediaminetetraacetic acid, dithiothreitol, arginine methyl ester, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG2000 | 18-21 (%) | |
2 | 1 | reservoir | MPD | 10 (%) | |
3 | 1 | reservoir | glycerol | 2.5 (%) | |
4 | 1 | reservoir | HEPES | 100 (mM) | pH7.0 |
5 | 1 | reservoir | beta-octylglucoside | 0.5 (mM) | |
6 | 1 | reservoir | putrescine | 0.5 (mM) | |
7 | 1 | reservoir | EDTA | 5 (mM) | |
8 | 1 | reservoir | dithiothreitol | 10 (mM) |