4O8L
Structure of sortase A from Streptococcus pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | OTHER |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-10-08 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.940, 103.450, 74.870 |
Unit cell angles | 90.00, 115.65, 90.00 |
Refinement procedure
Resolution | 30.710 - 2.700 |
R-factor | 0.1836 |
Rwork | 0.181 |
R-free | 0.23390 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.162 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 67.492 | 31.841 | 2.850 |
High resolution limit [Å] | 2.700 | 8.540 | 2.700 |
Rmerge | 0.052 | 0.529 | |
Rpim | 0.021 | 0.206 | |
Total number of observations | 5905 | 26715 | |
Number of reflections | 25168 | ||
<I/σ(I)> | 14.3 | 31.3 | 3.8 |
Completeness [%] | 99.2 | 98 | 98.6 |
Redundancy | 7.5 | 7.3 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microbatch, Under oil | 7 | 293 | 0.2 M tri-ammonium citrate, pH 7.0, 20% (w/v) PEG 3350, 40% (v/v) 1,3-Butanediol, Microbatch, Under oil, temperature 293K |