4EB3
Crystal structure of IspH in complex with iso-HMBPP
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 | 2012-01-27 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.580, 80.820, 113.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.900 |
R-factor | 0.19122 |
Rwork | 0.189 |
R-free | 0.22824 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ke8 |
RMSD bond length | 0.020 |
RMSD bond angle | 2.074 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC (5) |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.068 | 0.490 |
Number of reflections | 51490 | |
<I/σ(I)> | 11.6 | 2.5 |
Completeness [%] | 99.6 | 99.1 |
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 |