8W0U
Human LCAD complexed with Acetoacetyl Coenzyme A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-01-27 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 86.028, 95.265, 118.826 |
Unit cell angles | 90.00, 106.52, 90.00 |
Refinement procedure
Resolution | 38.960 - 2.800 |
R-factor | 0.225 |
Rwork | 0.225 |
R-free | 0.29700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 10.000 | 2.900 |
High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
Rmerge | 0.092 | 0.026 | 0.793 |
Total number of observations | 309146 | ||
Number of reflections | 45139 | 4687 | 4365 |
<I/σ(I)> | 11.7 | ||
Completeness [%] | 98.6 | 99.7 | 95.8 |
Redundancy | 6.8 | 7.2 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 291 | TrisHCl, PEG5000MME, NaCl, MgCl2, beta-octyl-b-D-glucoside |