4MV0
IspH in complex with pyridin-2-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 | 69.470, 80.800, 111.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.970 - 1.900 |
R-factor | 0.22 |
Rwork | 0.218 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ke8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.399 |
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 | 49549 | |
<I/σ(I)> | 11.37 | 2.82 |
Completeness [%] | 98.7 | 95.6 |
Redundancy | 6.9 |
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 |