4MC8
Hedycaryol synthase in complex with HEPES
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-23 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 80.770, 80.770, 271.960 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.710 - 1.900 |
| R-factor | 0.18628 |
| Rwork | 0.185 |
| R-free | 0.21926 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mc3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.133 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.710 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.087 | 5.940 |
| Number of reflections | 42016 | |
| <I/σ(I)> | 10.4 | 2.1 |
| Completeness [%] | 98.8 | 93 |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M, HEPES, 20 mM MgCl2, 21% Sodium polyacrylate 5100, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
