1EQJ
CRYSTAL STRUCTURE OF PHOSPHOGLYCERATE MUTASE FROM BACILLUS STEAROTHERMOPHILUS COMPLEXED WITH 2-PHOSPHOGLYCERATE
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 | 1999-10-01 |
Detector | CUSTOM-MADE |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 58.407, 205.688, 123.706 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.700 |
Rwork | 0.218 |
R-free | 0.25800 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.319 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.112 | 0.469 |
Total number of observations | 375113 * | |
Number of reflections | 81769 | |
<I/σ(I)> | 6.4 | |
Completeness [%] | 99.4 | 96.1 |
Redundancy | 4.6 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 295 | ammonium sulfate, sodium citrate, zinc acetate, celsium chloride, PEG200, beta-mercaptoethanol , pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 25 (mg/ml) | |
2 | 1 | drop | 2PGA | 150 (mM) | in water |
3 | 1 | reservoir | ammonium sulfate | 2.1 (M) | |
4 | 1 | reservoir | sodium citrate | 100 (mM) | |
5 | 1 | reservoir | zinc acetate | 25 (mM) | |
6 | 1 | reservoir | 20 (mM) | ||
7 | 1 | reservoir | PEG200 | 3 (%) | |
8 | 1 | reservoir | beta-mercaptoethanol | 1 (mM) |