2WAD
PENICILLIN-BINDING PROTEIN 2B (PBP-2B) FROM STREPTOCOCCUS PNEUMONIAE (STRAIN 5204)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-10 |
Detector | ADSC CCD |
Spacegroup name | P 31 |
Unit cell lengths | 128.788, 128.788, 123.139 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.500 - 2.180 |
R-factor | 0.213 |
Rwork | 0.211 |
R-free | 0.26100 |
Structure solution method | MAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.007 |
RMSD bond angle | 1.342 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | autoSHARP |
Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.500 | 2.310 |
High resolution limit [Å] | 2.180 | 2.180 |
Number of reflections | 108466 | |
<I/σ(I)> | 17.34 | 2.97 |
Completeness [%] | 91.0 | 70.1 |
Redundancy | 4.4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 100 MM BIS-TRIS-HCL PH 5.5, 300 MM NACL, 5 MM ZN ACETATE, 30% W/V POLYETHYLENE GLYCOL MME 550 | ||
1 | 8 | 100 MM BIS-TRIS-HCL PH 5.5, 300 MM NACL, 5 MM ZN ACETATE, 30% W/V POLYETHYLENE GLYCOL MME 550 |