6G71
Structure of CYP1232A24 from Arthrobacter sp.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2017-12-09 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.390, 100.830, 53.420 |
| Unit cell angles | 90.00, 97.85, 90.00 |
Refinement procedure
| Resolution | 50.420 - 1.700 |
| R-factor | 0.19153 |
| Rwork | 0.190 |
| R-free | 0.22807 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vz7 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.532 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.920 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.190 | 0.690 |
| Rpim | 0.160 | 0.610 |
| Number of reflections | 44239 | 3185 |
| <I/σ(I)> | 4.5 | 1.2 |
| Completeness [%] | 97.6 | 95.8 |
| Redundancy | 4.1 | 3.4 |
| CC(1/2) | 0.940 | 0.550 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1 M Bis-tris pH 6.5; 20% PEG 5000 MME |
