4N7D
Selenomethionine incorporated Bla g 4
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-01-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9797, 0.9799, 0.9600 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 60.166, 60.166, 124.927 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.580 - 2.100 |
| R-factor | 0.1782 |
| Rwork | 0.176 |
| R-free | 0.21736 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ebk |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.031 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.069 | 0.380 |
| Number of reflections | 51198 | |
| <I/σ(I)> | 23.71 | 3.97 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.1 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES, 1.5 M Sodium Citrate, 3% Acetone, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
