4BHI
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1,1,1,2-Tetramethylhydrazin-1-ium-2-yl)propanoate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-31 |
Detector | MARRESEARCH |
Spacegroup name | H 3 2 |
Unit cell lengths | 107.240, 107.240, 205.040 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.960 - 2.150 |
R-factor | 0.1643 |
Rwork | 0.161 |
R-free | 0.22492 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o2g |
RMSD bond length | 0.010 |
RMSD bond angle | 1.377 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.960 | 2.270 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.090 | 0.400 |
Number of reflections | 24974 | |
<I/σ(I)> | 10.2 | 2.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 20 % PEG 3350, 1.5 % 1.6-DIAMINOHEXANE, 200 MM AMMONIUM CITRATE PH 7.0, 10 MM ZNSO4, 8 MM N-OXALYLGLYCINE, 4 MM INHIBITOR, PROTEIN 6.5 MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K, TIME 2-7 DAYS |