2WAE
PENICILLIN-BINDING PROTEIN 2B (PBP-2B) FROM STREPTOCOCCUS PNEUMONIAE (STRAIN 5204)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-08 |
Detector | ADSC CCD |
Spacegroup name | H 3 2 |
Unit cell lengths | 127.951, 127.951, 280.847 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 54.390 - 2.260 |
R-factor | 0.247 |
Rwork | 0.244 |
R-free | 0.30100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wad |
RMSD bond length | 0.006 |
RMSD bond angle | 1.180 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.390 | 2.400 |
High resolution limit [Å] | 2.260 | 2.260 |
Number of reflections | 38102 | |
<I/σ(I)> | 21.69 | 6.8 |
Completeness [%] | 91.2 | 82 |
Redundancy | 5.1 | 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 |