Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM02 |
| Synchrotron site | ESRF |
| Beamline | BM02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1996-02-15 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 53.000, 61.350, 69.450 |
| Unit cell angles | 90.00, 92.93, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.850 |
| R-factor | 0.214 * |
| Rwork | 0.222 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | B.CEREUS EMBO J. |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.700 |
| Data reduction software | XDS |
| Data scaling software | CCP4 |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.070 * | 0.104 * |
| Number of reflections | 15240 | |
| Completeness [%] | 80.9 | 77.7 * |
| Redundancy | 2.6 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 * | 281 * | SEE IN ACTA CRYSTALLOG PAPER, pH 5.6 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 9 (mg/ml) | |
| 2 | 1 | drop | cacodylate | 10 (mM) | |
| 3 | 1 | drop | dithiothreitol | 0.100 (mM) | |
| 4 | 1 | drop | 0.100 (mM) | ||
| 5 | 1 | reservoir | citrate | 25 (mM) | |
| 6 | 1 | reservoir | PEG8000 | 20 (%) | |
| 7 | 1 | reservoir | 0.100 (mM) | ||
| 8 | 1 | reservoir | dithiothreitol | 0.100 (mM) |
