1A4L
ADA STRUCTURE COMPLEXED WITH DEOXYCOFORMYCIN AT PH 7.0
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-11-15 |
| Detector | MACSCIENCE |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.929, 93.355, 101.953 |
| Unit cell angles | 90.00, 102.94, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.600 |
| R-factor | 0.185 |
| Rwork | 0.185 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ada |
| RMSD bond length | 0.008 |
| RMSD bond angle | 23.067 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.85) |
| Refinement software | X-PLOR (3.85) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.095 * | 0.249 * |
| Total number of observations | 330776 * | |
| Number of reflections | 47806 | |
| <I/σ(I)> | 10.8 | 4.1 |
| Completeness [%] | 96.0 | 94 |
| Redundancy | 4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | 4 * | 20% PEG 3350, 100 MM NACL, 100 MM HEPES PH 7.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8.2 (mg/ml) | |
| 2 | 1 | drop | PR | 20 (mM) | |
| 3 | 1 | drop | PEG3350 | 6.7 (%) | |
| 4 | 1 | drop | 33 (mM) | ||
| 5 | 1 | drop | HEPES | 33 (mM) | |
| 6 | 1 | reservoir | PEG3350 | 20 (%) | |
| 7 | 1 | reservoir | 100 (mM) | ||
| 8 | 1 | reservoir | HEPES | 100 (mM) |
