2P91
Crystal structure of Enoyl-[acyl-carrier-protein] reductase (NADH) from Aquifex aeolicus VF5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-24 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97243 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.078, 119.019, 119.197 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
R-factor | 0.169 |
Rwork | 0.167 |
R-free | 0.19700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1JW7 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.161 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.060 | 0.242 | |
Number of reflections | 70158 | ||
<I/σ(I)> | 10 | ||
Completeness [%] | 99.9 | 99.2 | 100 |
Redundancy | 11.1 | 10.8 | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | USING 2 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN CONCENTRATE (10.93 mg/ml) AND RESERVOIR SOLUTION CONTAINING 0.1 M Phosphate-citrate (pH 4.2), 40% v/v PEG200, 0.15 M Sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K |