1BKM
COCRYSTAL STRUCTURE OF D-AMINO ACID SUBSTITUTED PHOSPHOPEPTIDE COMPLEX
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-07 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 30.200, 46.900, 74.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.000 |
| R-factor | 0.2 |
| Rwork | 0.200 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PROTEIN MODEL FROM 1SPS |
| RMSD bond length | 0.015 |
| RMSD bond angle | 29.200 * |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.076 | 0.317 |
| Number of reflections | 6768 | |
| <I/σ(I)> | 14.4 | 5 |
| Completeness [%] | 88.7 | 71.9 |
| Redundancy | 3 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | 4 micro litter of protein solution was mixed with 2 micro litter of 5 solution and 4 micro litter of reservoir solution * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 50 (mg/ml) | |
| 2 | 1 | drop | 0.1 (M) | ||
| 3 | 1 | drop | Tris | 0.01 (M) | |
| 4 | 1 | drop | 5 solution | 10 (mM) | |
| 5 | 1 | reservoir | PEG6000 | 32 (%) | |
| 6 | 1 | reservoir | MES | 0.1 (M) |
