4L6G
Crystal Structure of P450cin Y81F mutant, crystallized in 7 mM 1,8-cineole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 70 |
| Detector technology | CCD |
| Collection date | 2012-09-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.810, 103.770, 127.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.754 - 1.371 |
| R-factor | 0.1693 |
| Rwork | 0.167 |
| R-free | 0.20660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t2b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.277 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.754 | 1.450 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Number of reflections | 185316 | |
| <I/σ(I)> | 9.5 | 2 |
| Completeness [%] | 97.4 | 94.9 |
| Redundancy | 4.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.2 | 298 | 15% PEG3350, 100 mM Bis-Tris, pH 6.2, 150 mM lithium sulfate, 7 mM 1,8-cineole, 3 mM TCEP, 100 mM sodium chloride, VAPOR DIFFUSION, temperature 298K |
