4HSC
Crystal structure of a cholesterol dependent cytolysin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | OTHER |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-01-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.208, 85.343, 81.223 |
Unit cell angles | 90.00, 92.08, 90.00 |
Refinement procedure
Resolution | 40.585 - 2.100 |
R-factor | 0.2237 |
Rwork | 0.222 |
R-free | 0.26450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pfo |
RMSD bond length | 0.008 |
RMSD bond angle | 1.155 |
Data reduction software | d*TREK (9.4SSI) |
Data scaling software | d*TREK (9.4SSI) |
Phasing software | PHASER |
Refinement software | PHENIX (1.5_2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 58.820 | 58.820 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.063 | 0.044 | 0.401 |
Total number of observations | 13590 | 13218 | |
Number of reflections | 35414 | ||
<I/σ(I)> | 9.6 | 21.1 | 2.6 |
Completeness [%] | 96.1 | 95.6 | 94.6 |
Redundancy | 3.82 | 3.64 | 3.83 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | 18% PEG 8000, 20 mM CaCl2, 100mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |