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. |