3I95
Crystal structure of E76Q mutant PcyA-biliverdin complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-26 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 70.681, 95.701, 42.727 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.980 - 1.400 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.19200 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 2d1e |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.683 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.980 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.055 | 0.295 |
| Number of reflections | 57594 | |
| Completeness [%] | 99.4 | 98.4 |
| Redundancy | 6.7 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.7M ammonium sulfate, 2% PEG 400, 0.1M HEPES (pH 7.0), vapor diffusion, hanging drop, temperature 293K |
