3CMN
Crystal structure of a putative hydrolase with a novel fold from Chloroflexus aurantiacus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-18 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 75.968, 75.968, 124.718 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.340 - 2.250 |
| R-factor | 0.247 |
| Rwork | 0.247 |
| R-free | 0.28900 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.080 | 0.560 |
| Number of reflections | 17996 | |
| <I/σ(I)> | 7.3 | 1 |
| Completeness [%] | 99.7 | 97.2 |
| Redundancy | 24.4 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 298 | 1.5 M Sodium chloride, 10% Ethanol, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
