4G37
Structure of cross-linked firefly luciferase in second catalytic conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2012-01-13 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.638, 184.091, 170.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.219 - 2.396 |
| R-factor | 0.2023 |
| Rwork | 0.199 |
| R-free | 0.25860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lci |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.155 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_837)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.500 |
| High resolution limit [Å] | 2.396 | 2.400 |
| Rmerge | 0.067 | 0.228 |
| Number of reflections | 44431 | |
| <I/σ(I)> | 15.3 | 3.8 |
| Completeness [%] | 94.4 | 82.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 273 | 30 % PEG 4000, 50 mM NaCl, 50 mM HEPPS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 273K |
