4QKQ
RadA from Methanococcus Voltae in complex with copper phthalocyanine tetrasulfonate inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-03-13 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 |
| Unit cell lengths | 111.000, 111.000, 112.400 |
| Unit cell angles | 112.30, 101.60, 114.30 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.224 |
| Rwork | 0.224 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dc9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.320 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | 0.493 |
| Number of reflections | 258442 | |
| <I/σ(I)> | 29.1 | 1.9 |
| Completeness [%] | 92.1 | 74.2 |
| Redundancy | 3.5 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 294 | 0.2 M NH4NO3, 0.05 M Tris-HCl, 30% ploy(ethylene glycol) monomethyl ester 550, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 294.0K |
