4H4E
IspH in complex with (E)-4-mercapto-3-methylbut-2-enyl diphosphate
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 | 2012-05-13 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.700, 80.670, 111.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.700 |
R-factor | 0.17962 |
Rwork | 0.178 |
R-free | 0.21308 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ke8 |
RMSD bond length | 0.022 |
RMSD bond angle | 2.262 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC (5.6.0117) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 70625 | |
<I/σ(I)> | 14.7 | 3.5 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M Bis-Tris, 0.2 M ammonium sulfate, 25% PEG3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |