2B4Q
Pseudomonas aeruginosa RhlG/NADP active-site complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 170 |
Detector technology | CCD |
Collection date | 2005-03-24 |
Detector | MARRESEARCH |
Wavelength(s) | 0.976250 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 73.138, 142.610, 95.684 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
R-factor | 0.214 |
Rwork | 0.212 |
R-free | 0.26400 |
Structure solution method | SAD (crystal 2) followed by molecular replacement (crystal 1) |
RMSD bond length | 0.008 |
RMSD bond angle | 1.200 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | CNS ((CRYSTAL 2)) |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.117 | 0.341 |
Number of reflections | 22417 | |
<I/σ(I)> | 5.1 | 2.3 |
Completeness [%] | 99.1 | 98.7 |
Redundancy | 7.4 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 290 | 0.1 M HEPES pH 7.0, 0.3 M Ammonium Sulfate, 12 % PEG 4K, VAPOR DIFFUSION, temperature 290K |
1 | VAPOR DIFFUSION | 7 | 290 | 0.1 M HEPES pH 7.0, 0.3 M Ammonium Sulfate, 12 % PEG 4K, VAPOR DIFFUSION, temperature 290K |