1C97
S642A:ISOCITRATE COMPLEX OF ACONITASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-04-24 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 176.400, 71.400, 71.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.980 |
| R-factor | 0.212 * |
| Rwork | 0.218 |
| R-free | 0.24900 * |
| RMSD bond length | 0.019 |
| RMSD bond angle | 3.460 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.030 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.108 | 0.368 |
| Total number of observations | 219481 * | |
| Number of reflections | 63472 * | |
| <I/σ(I)> | 6 | |
| Completeness [%] | 98.8 | 86 |
| Redundancy | 3.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 26 * | 2.6 M AMMONIUM SULFATE 0.35 M SODIUM CHLORIDE 0.25 M BIS-TRIS, pH 7.0, VAPOR DIFFUSION, temperature 295.K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 16-18 (mg/ml) | |
| 2 | 1 | drop | ammonium sulfate | ||
| 3 | 1 | drop | Bis-Tris-HCl | 0.25 (M) | |
| 4 | 1 | drop | 0.35 (M) | ||
| 5 | 1 | reservoir | ammonium sulfate | 2.2-2.4 (M) | |
| 6 | 1 | reservoir | bis-Tris-HCl | 0.25 (M) | |
| 7 | 1 | reservoir | 0.35 (M) |
