7WBI
BF2*1901-FLU
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-06-14 |
| Detector | RIGAKU |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.955, 76.148, 102.911 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.710 - 1.800 |
| R-factor | 0.1683 |
| Rwork | 0.167 |
| R-free | 0.19970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yez |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.878 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.045 | 0.207 |
| Number of reflections | 35678 | 35671 |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1 M BIS-TRIS pH 6.5 and 28% w/v Polyethylene glycol monomethyl ether 2,000 |
