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 |