4K00
Crystal structure of Slr0204, a 1,4-dihydroxy-2-naphthoyl-CoA thioesterase from Synechocystis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-10-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 54.496, 54.496, 191.093 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.920 - 1.900 |
| R-factor | 0.17164 |
| Rwork | 0.170 |
| R-free | 0.20074 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hx5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.927 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.800 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.129 | 0.990 |
| Number of reflections | 23811 | |
| <I/σ(I)> | 17.4 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.7 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 298 | 1.35 M NaH2PO4/0.8 M K2HPO4, 400 mM Li2SO4, 100 mM CAPS, pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
