1HYB
CRYSTAL STRUCTURE OF AN ACTIVE SITE MUTANT OF METHANOBACTERIUM THERMOAUTOTROPHICUM NICOTINAMIDE MONONUCLEOTIDE ADENYLYLTRANSFERASE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-11-28 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.000000 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 89.778, 89.778, 108.946 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 14.960 - 2.000 |
R-factor | 0.237 |
Rwork | 0.237 |
R-free | 0.28600 |
Structure solution method | isomorphous to native |
Starting model (for MR) | pdb 1ej2 |
RMSD bond length | 0.010 |
RMSD bond angle | 22.100 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.073 | 0.337 |
Number of reflections | 17892 | |
<I/σ(I)> | 34 | 7 |
Completeness [%] | 98.1 | 98.1 |
Redundancy | 12 | 10 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 20 * | 1.6 M LiSO4, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | 1.6 (M) | ||
3 | 1 | reservoir | HEPES | 100 (mM) |