6NBA
Crystal structure of Human Cystathionine gamma lyase with S-3-Carboxpropyl-L-Cysteine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2017-06-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.551, 152.167, 83.771 |
Unit cell angles | 90.00, 112.25, 90.00 |
Refinement procedure
Resolution | 42.446 - 2.495 |
R-factor | 0.1969 |
Rwork | 0.196 |
R-free | 0.23030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nmp |
RMSD bond length | 0.005 |
RMSD bond angle | 0.838 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3211: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.560 |
High resolution limit [Å] | 2.495 | 2.500 |
Rmerge | 0.125 | 0.610 |
Number of reflections | 54611 | |
<I/σ(I)> | 11.5 | |
Completeness [%] | 99.2 | |
Redundancy | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.03 M sodium nitrate 0.03 M sodium phosphate dibasic 0.03 M ammonium sulfate 12.5% (v/v) Methyl-2,4-pentanediol (MPD) 12.5% (v/v) PEG 1000 12.5% (w/v) PEG 3350 0.1 M Tris-BICINE buffer (pH 8.5) |