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 |