3OJF
Crystal Structure of the Bacillus cereus Enoyl-Acyl Carrier Protein Reductase with NADP+ and indole naphthyridinone (Complex form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 6B |
Synchrotron site | PAL/PLS |
Beamline | 6B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-21 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.12174 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.740, 89.257, 185.803 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.590 - 2.200 |
R-factor | 0.18551 |
Rwork | 0.183 |
R-free | 0.22540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1c14 |
RMSD bond length | 0.022 |
RMSD bond angle | 2.127 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.280 |
High resolution limit [Å] | 2.196 | 2.196 |
Rmerge | 0.078 | 0.236 |
Total number of observations | 1090014 | |
Number of reflections | 62536 | |
<I/σ(I)> | 17.1 | 2.4 |
Completeness [%] | 96.0 | 91 |
Redundancy | 4.6 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 295 | 0.1M sodium citrate, 8% PEG 10000, 0.4M magnesium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |