2BEF
CRYSTAL STRUCTURE OF NDP KINASE COMPLEXED WITH MG, ADP, AND BEF3
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-04 |
| Detector | RIGAKU RAXIS |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 71.560, 71.560, 153.750 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 2.300 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NDPK + MGADP + ALF3 WITH MGADP AND ALF3 REMOVED FROM THE MODEL |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.880 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.8) |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.053 * | 0.207 |
| Total number of observations | 51271 * | |
| Number of reflections | 20554 | |
| <I/σ(I)> | 13.1 | 3.6 |
| Completeness [%] | 98.0 | 94 |
| Redundancy | 2.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.4 * | 20 * | HANGING DROP, SEEDING, 32% PEG550, 50MM TRIS PH 7.5, 20MM MGCL2, 25MM NAF, 1MM BECL2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | NDPK | 5-6 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | |
| 3 | 1 | drop | 20 (mM) | ||
| 4 | 1 | drop | 25 (mM) | ||
| 5 | 1 | drop | 0.5 (mM) | ||
| 6 | 1 | drop | ADP | 10 (mM) | |
| 7 | 1 | drop | PEG550 | 32 (%) |
