4A0S
STRUCTURE OF THE 2-OCTENOYL-COA CARBOXYLASE REDUCTASE CINF IN COMPLEX WITH NADP AND 2-OCTENOYL-COA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-04 |
| Detector | RIGAKU SATURN 944 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 96.010, 83.300, 122.740 |
| Unit cell angles | 90.00, 110.96, 90.00 |
Refinement procedure
| Resolution | 47.210 - 1.900 |
| R-factor | 0.20171 |
| Rwork | 0.199 |
| R-free | 0.25042 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3krt |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.634 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.200 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.010 | 0.040 |
| Number of reflections | 140724 | |
| <I/σ(I)> | 13.8 | 3.6 |
| Completeness [%] | 98.8 | 98.3 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1 M TRIS PH 7, 20% GLYCEROL, 12% PEG 8000. |
