2E4Q
Crystal structure of BphA3 (reduced form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2006-11-11 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 49.710, 49.710, 172.065 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.20968 |
| Rwork | 0.208 |
| R-free | 0.24705 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e4p |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.786 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.400 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.790 |
| Rmerge | 0.110 | 0.511 |
| Number of reflections | 23884 | |
| <I/σ(I)> | 15.55 | 2.77 |
| Completeness [%] | 99.1 | 99.1 |
| Redundancy | 4.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 2.8M ammonium sulfate, 0.1M imidazole, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
