1JPZ
Crystal structure of a complex of the heme domain of P450BM-3 with N-Palmitoylglycine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-08-31 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.190, 148.356, 64.134 |
| Unit cell angles | 90.00, 98.82, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.650 |
| R-factor | 0.177 * |
| Rwork | 0.177 |
| R-free | 0.19300 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1fag |
| RMSD bond length | 0.010 |
| RMSD bond angle | 21.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.031 | 0.284 |
| Number of reflections | 218743 | |
| <I/σ(I)> | 23.1 | 1.9 |
| Completeness [%] | 84.3 | 38.3 |
| Redundancy | 2.2 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 4 * | 6% PEG 3350, 25 mM potassium phosphate, 50 mM magnesium chloride, 50 mM Morpholinoethanesulfonic acid pH 6.0, VAPOR DIFFUSION, HANGING DROP at 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG3350 | 12 (%(w/v)) | |
| 2 | 1 | reservoir | 150 (mM) | ||
| 3 | 1 | reservoir | MES | 100 (mM) | |
| 4 | 1 | drop | protein | 12.5 (mg/ml) |
