1JN1
Structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Haemophilus influenzae (HI0671)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-03-30 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 112.300, 112.300, 187.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.900 |
Rwork | 0.198 |
R-free | 0.29000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | structure from MIR data in P6(3) space group |
RMSD bond length | 0.018 |
RMSD bond angle | 2.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.000 * | 3.030 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.053 | 0.294 |
Total number of observations | 399292 * | |
Number of reflections | 13670 | |
<I/σ(I)> | 9.4 | |
Completeness [%] | 100.0 * | 100 |
Redundancy | 18.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 40% sat. ammonium sulfate, 0.1 MES, 15 mM CoCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | 1.7 (M) | |
2 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |
3 | 1 | reservoir | 1 (mM) | ||
4 | 1 | drop | protein | 15 (mg/ml) |