5MMS
Human cystathionine beta-synthase (CBS) p.P49L delta409-551 variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.967 |
Spacegroup name | P 1 |
Unit cell lengths | 86.174, 86.783, 97.786 |
Unit cell angles | 102.67, 103.07, 111.19 |
Refinement procedure
Resolution | 76.350 - 2.800 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jbq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.120 |
Data reduction software | XDS (Oct 15, 2015) |
Data scaling software | Aimless (0.5.21) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.350 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.131 | |
Rmeas | 0.174 | |
Rpim | 0.112 | |
Number of reflections | 58862 | |
<I/σ(I)> | 4.8 | 1.5 |
Completeness [%] | 98.5 | 95.6 |
Redundancy | 2.1 | 2 |
CC(1/2) | 0.620 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 35% w/v PEG 2000 MME 0.15 M KBr |