1N2M
The S53A Proenzyme Structure of Methanococcus jannaschii.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-09-28 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.947 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.260, 91.310, 86.200 |
Unit cell angles | 90.00, 94.72, 90.00 |
Refinement procedure
Resolution | 28.690 - 1.900 |
R-factor | 0.186 |
Rwork | 0.186 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mt1 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.380 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.700 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.061 * | 0.262 * |
Total number of observations | 187377 * | |
Number of reflections | 61718 | |
<I/σ(I)> | 12.4 | 5.2 |
Completeness [%] | 90.2 | 51.5 |
Redundancy | 3 | 1.85 |
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-ethansulfonic acid], beta-octyl glucoside, putrescine, ethylenediaminetetraacetic acid, dithiothreitol, 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) |