2Q1F
Crystal structure of chondroitin sulfate lyase abc from bacteroides thetaiotaomicron wal2926
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 63 |
| Unit cell lengths | 223.362, 223.362, 112.639 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.850 |
| R-factor | 0.222 |
| Rwork | 0.220 |
| R-free | 0.26200 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.007 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | RESOLVE (2.11) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.920 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.063 | 0.400 |
| Number of reflections | 71079 | |
| <I/σ(I)> | 14.6 | 1.6 |
| Completeness [%] | 94.7 | 56.7 |
| Redundancy | 3.1 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 282 | 17% PEG 3350, 0.2M ammonium sulfate, 100 mM HEPES , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 282K, pH 6.50 |
