2E4P
Crystal structure of BphA3 (oxidized form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2006-03-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 26.294, 144.113, 61.176 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 16.650 - 2.000 |
| R-factor | 0.20996 |
| Rwork | 0.208 |
| R-free | 0.25407 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fqt |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.401 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.086 | 0.353 |
| Number of reflections | 16179 | |
| <I/σ(I)> | 9.92 | 3.32 |
| Completeness [%] | 96.7 | 98.2 |
| Redundancy | 2.56 | 2.46 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 2.55M ammonium sulfate, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
