1W5D
Crystal structure of PBP4a from Bacillus subtilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-03-01 |
Detector | ADSC CCD |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 67.411, 67.411, 228.464 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.870 - 2.100 |
R-factor | 0.224 |
Rwork | 0.224 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.380 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.080 | 0.290 |
Number of reflections | 34499 | |
<I/σ(I)> | 4 | 2.6 |
Completeness [%] | 97.7 | 85.6 |
Redundancy | 5.8 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.8 | TRIS 0.1M, KCL 0.8M, PH 7.8, PEG3350, CACL2 0.2M |