5JB6
A simplified BPTI variant containing 23 alanines out of 58 residues
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 | 2008-06-06 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.876, 98.744, 61.592 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.440 - 1.900 |
| R-factor | 0.171 |
| Rwork | 0.169 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3aub |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.767 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | HKL-2000 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.066 | 0.374 |
| Number of reflections | 19819 | |
| <I/σ(I)> | 10.3 | 6.8 |
| Completeness [%] | 100.0 | 84.6 |
| Redundancy | 6.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEG 4000, LITHIUM SULFATE, TRIS-HCL |
