4I40
crystal structure of Staphylococcal inositol monophosphatase-1: 50mM LiCl inhibited complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Detector technology | IMAGE PLATE |
Collection date | 2012-09-19 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 59.977, 62.397, 140.638 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.740 - 2.500 |
R-factor | 0.1794 |
Rwork | 0.175 |
R-free | 0.25730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qmf |
RMSD bond length | 0.013 |
RMSD bond angle | 1.724 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 70.319 | 19.728 | 2.630 |
High resolution limit [Å] | 2.500 | 7.900 | 2.500 |
Rmerge | 0.039 | 0.582 | |
Rmeas | 0.043 | 0.632 | |
Rpim | 0.018 | 0.243 | |
Total number of observations | 3796 | 17642 | |
Number of reflections | 18941 | ||
<I/σ(I)> | 11.9 | 33.8 | 3.5 |
Completeness [%] | 99.7 | 93.9 | 99.3 |
Redundancy | 6.6 | 6 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.2M MgCl2, 0.1M HEPES, 20%(w/v) PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |