2HKL
Crystal structure of Enterococcus faecium L,D-transpeptidase C442S mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-11 |
Detector | MARRESEARCH |
Wavelength(s) | 0.979587 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 211.140, 132.660, 70.120 |
Unit cell angles | 90.00, 89.98, 90.00 |
Refinement procedure
Resolution | 19.880 - 2.600 |
R-factor | 0.223 |
Rwork | 0.216 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zat |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Phasing software | PHASER |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.900 | 2.750 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 53071 | |
<I/σ(I)> | 12.93 | 2.73 |
Completeness [%] | 86.4 | 81.9 |
Redundancy | 1.93 | 1.94 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 0.2M ammonium sulfate, 15% PEG 2K, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |