4L4B
Structure of L358A/K178G/D182N mutant of P450cam bound to camphor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-29 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.503, 103.587, 105.843 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.508 - 2.099 |
R-factor | 0.1794 |
Rwork | 0.176 |
R-free | 0.23550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cpp |
RMSD bond length | 0.007 |
RMSD bond angle | 1.155 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.099 | 2.099 |
Rmerge | 0.065 | 0.220 |
Number of reflections | 22278 | |
<I/σ(I)> | 34 | 12 |
Completeness [%] | 92.0 | 80 |
Redundancy | 5.1 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 50 mM Tris, 400 mM potassium chloride, 32% PEG4000, 1.2 mM D-camphor, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |