4MV5
IspH in complex with 6-chloropyridin-3-ylmethyl 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 | 2012-12-05 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.130, 80.900, 111.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.870 - 1.900 |
R-factor | 0.217 |
Rwork | 0.215 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ke8 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.362 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC (5.7.0029) |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 50817 | |
<I/σ(I)> | 16.87 | 4.68 |
Completeness [%] | 99.9 | 100 |
Redundancy | 8.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 293 | 0.1 M BIS-TRIS, 0.2 M ammonium sulfate, 25% PEG3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |