7FCO
ChlB4 Halogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-10-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 187.651, 53.076, 83.821 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.910 - 2.510 |
| R-factor | 0.2333 |
| Rwork | 0.231 |
| R-free | 0.28460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5buk |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.504 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
| High resolution limit [Å] | 2.510 | 6.920 | 2.550 |
| Rmerge | 0.146 | 0.039 | 0.786 |
| Rmeas | 0.166 | 0.044 | 0.910 |
| Rpim | 0.076 | 0.021 | 0.450 |
| Number of reflections | 28085 | 1578 | 1304 |
| <I/σ(I)> | 5.6 | ||
| Completeness [%] | 97.1 | 97.5 | 94.9 |
| Redundancy | 4.4 | 4.2 | 3.8 |
| CC(1/2) | 0.995 | 0.652 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 26 % PEG mono-ethyl ether 2000, 0.1M bis Tris |
