1BQR
REDUCED PSEUDOAZURIN
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 1995-10-13 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.650, 61.670, 30.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.600 |
R-factor | 0.173 |
Rwork | 0.184 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pza |
RMSD bond length | 0.010 |
RMSD bond angle | 0.026 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MERLOT |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.044 | 0.141 |
Total number of observations | 58870 * | |
Number of reflections | 13287 | |
<I/σ(I)> | 10.5 | |
Completeness [%] | 90.4 | 70.8 |
Redundancy | 4.4 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6 | 4 * | Inoue, T., (1993) J.Biochem.(Tokyo), 114, 761. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | sodium cacodylate | 0.1 (M) | |
3 | 1 | drop | sodium azide | 1 (mM) | |
4 | 1 | drop | ammonium sulfate | 50 (%sat) | |
5 | 1 | reservoir | sodium cacodylate | 0.1 (M) | |
6 | 1 | reservoir | sodium azide | 1 (mM) | |
7 | 1 | reservoir | PEG8000 | 5 (%(w/v)) | |
8 | 1 | reservoir | ammonium sulfate | 70 (%sat) |