1BA3
FIREFLY LUCIFERASE IN COMPLEX WITH BROMOFORM
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.5 |
| Synchrotron site | SRS |
| Beamline | PX9.5 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-01-19 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 119.560, 119.560, 95.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.400 - 2.200 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lci |
| RMSD bond length | 0.007 |
| RMSD bond angle | 23.300 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.400 | 2.350 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.071 | 0.235 |
| Total number of observations | 109681 * | |
| Number of reflections | 35038 | |
| <I/σ(I)> | 6.9 | 3.1 |
| Completeness [%] | 98.2 | 97.9 |
| Redundancy | 3.13 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.8 | 277 * | Conti, E., (1996) Acta Crystallogr.,Sect.D, 52, 876. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 10 | 1 | reservoir | Tris | 100 (mM) | |
| 2 | 1 | drop | ammonium sulfate | 200 (mM) | |
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | drop | glycerol | 10 (%) | |
| 6 | 1 | drop | ethylene glycol | 25 (%) | |
| 7 | 1 | drop | Tris | 25 (mM) | |
| 8 | 1 | reservoir | lithium sulfate | 500-540 (mM) | |
| 9 | 1 | reservoir | PEG8000 | 26 (%(w/v)) |
