2P68
Crystal Structure of aq_1716 from Aquifex Aeolicus VF5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-11 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97243 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 105.698, 64.214, 73.448 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.840 |
R-factor | 0.185 |
Rwork | 0.183 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2c07 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.091 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
High resolution limit [Å] | 1.840 | 3.990 | 1.840 |
Rmerge | 0.066 | 0.266 | |
Number of reflections | 43626 | ||
<I/σ(I)> | 20.3 | ||
Completeness [%] | 99.7 | 99.7 | 98.2 |
Redundancy | 23.7 | 27.5 | 11.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 293 | USING 4 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN CONCENTRATE (11.8 mg/ml) AND RESERVOIR SOLUTION CONTAINING 45% v/v PEG200, 0.1M Tris-HCl (pH 6.4), VAPOR DIFFUSION, SITTING DROP, temperature 293K |