3FD0
Crystal structure of putative cystathionine beta-lyase involved in aluminum resistance (NP_470671.1) from LISTERIA INNOCUA at 2.12 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-13 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.94645,0.97967 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 131.890, 131.890, 116.740 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.185 - 2.120 |
R-factor | 0.154 |
Rwork | 0.152 |
R-free | 0.18800 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.643 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.185 | 29.185 | 2.200 |
High resolution limit [Å] | 2.120 | 4.550 | 2.120 |
Rmerge | 0.108 | 0.040 | 0.875 |
Number of reflections | 66693 | 12989 | 13565 |
<I/σ(I)> | 10.14 | 27.9 | 1.69 |
Completeness [%] | 99.8 | 99.4 | 99.8 |
Redundancy | 8.13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.2000M Ca(OAc)2, 10.0000% PEG-8000, 0.1M Imidazole pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |