2W1J
CRYSTAL STRUCTURE OF SORTASE C-1 (SRTC-1) from Streptococcus pneumoniae
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-05-04 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.091, 70.189, 86.542 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.850 - 1.240 |
R-factor | 0.172 |
Rwork | 0.171 |
R-free | 0.18500 |
Structure solution method | MAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.006 |
RMSD bond angle | 1.160 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHARP |
Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.850 | 1.320 |
High resolution limit [Å] | 1.240 | 1.240 |
Number of reflections | 114617 | |
<I/σ(I)> | 33.5 | 5.1 |
Completeness [%] | 98.3 | 93.9 |
Redundancy | 13 | 13.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 293 | 100 MM TRIS-HCL PH 8.5, 200 MM MGCL2 HEXAHYDRATE, 30% W/V POLYETHYLENE GLYCOL 4000 AT 20C. |