4H4D
IspH in complex with (E)-4-amino-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 | 71.320, 80.710, 112.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.350 |
R-factor | 0.19174 |
Rwork | 0.191 |
R-free | 0.21441 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ke8 |
RMSD bond length | 0.022 |
RMSD bond angle | 2.352 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.450 |
High resolution limit [Å] | 1.350 | 1.350 |
Number of reflections | 139140 | |
<I/σ(I)> | 11 | 3.1 |
Completeness [%] | 97.8 | 98.1 |
Redundancy | 3.9 |
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 |