4UUU
1.7 A resolution structure of human cystathionine beta-synthase regulatory domain (del 516-525) in complex with SAM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-19 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.850, 78.650, 90.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.090 - 1.710 |
R-factor | 0.16101 |
Rwork | 0.159 |
R-free | 0.19858 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.017 |
RMSD bond angle | 1.744 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | SHELX |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.090 | 1.760 |
High resolution limit [Å] | 1.710 | 1.710 |
Rmerge | 0.060 | 0.490 |
Number of reflections | 31258 | |
<I/σ(I)> | 12.1 | 2.1 |
Completeness [%] | 99.1 | 97 |
Redundancy | 4.4 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 36% PEG550MME, 0.1M TRIS PH 7.5, 0.2M CALCIUM CHLORIDE |