5JB4
A simplified BPTI variant containing 21 alanines out 58 of residues
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 | 2009-01-30 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 61.042, 99.335, 61.855 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.810 - 1.990 |
| R-factor | 0.17 |
| Rwork | 0.167 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3aub |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.719 |
| Data reduction software | SCALEPACK |
| Data scaling software | SCALA |
| Phasing software | DENZO |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.060 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.123 | 0.299 |
| Number of reflections | 17360 | |
| <I/σ(I)> | 3.16 | 3.16 |
| Completeness [%] | 97.7 | 97.7 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEG 4000, LITHIUM SULFATE, TRIS-HCL |
