2W1K
Crystal Structure of Sortase C-3 (SRTC-3) from Streptococcus pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU ROTAFLEX |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-03-31 |
Detector | RIGAKU IMAGE PLATE |
Spacegroup name | P 2 3 |
Unit cell lengths | 122.638, 122.638, 122.638 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.350 - 2.140 |
R-factor | 0.183 |
Rwork | 0.180 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2w1j |
RMSD bond length | 0.028 |
RMSD bond angle | 2.296 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.350 | 2.270 |
High resolution limit [Å] | 2.140 | 2.140 |
Number of reflections | 31007 | |
<I/σ(I)> | 14.3 | 4.2 |
Completeness [%] | 90.8 | 76.3 |
Redundancy | 6.6 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 100 MM MES PH 5.0, 0.5 M (NH4)2SO4, 1.0 M LISO4 |