3QHX
Crystal Structure of Cystathionine gamma-synthase MetB (Cgs) from Mycobacterium ulcerans Agy99 bound to HEPES
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-21 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.963, 106.326, 100.548 |
Unit cell angles | 90.00, 113.72, 90.00 |
Refinement procedure
Resolution | 29.231 - 1.650 |
R-factor | 0.15002 |
Rwork | 0.148 |
R-free | 0.18077 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qi6 |
RMSD bond length | 0.028 |
RMSD bond angle | 2.157 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5.5.0109) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.231 | 30.000 | 1.710 |
High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
Rmerge | 0.093 | 0.036 | 0.443 |
Number of reflections | 182652 | ||
<I/σ(I)> | 7.5 | ||
Completeness [%] | 98.0 | 99.7 | 96.5 |
Redundancy | 3.8 | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 25.5% PEG4000, 15% glycerol, 170 mM ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 289K |