4UBP
STRUCTURE OF BACILLUS PASTEURII UREASE INHIBITED WITH ACETOHYDROXAMIC ACID AT 1.55 A RESOLUTION
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-04-30 |
Detector | MARRESEARCH |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 130.880, 130.880, 189.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.700 * - 1.550 |
R-factor | 0.151 * |
Rwork | 0.151 |
R-free | 0.19000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ubp |
RMSD bond length | 0.013 |
RMSD bond angle | 0.030 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.500 * | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.071 | 0.479 |
Total number of observations | 3612270 * | |
Number of reflections | 138830 | |
<I/σ(I)> | 15.03 | 2.23 |
Completeness [%] | 99.5 | 99.5 * |
Redundancy | 26.02 | 4.29 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 * | 20 * | ATED AMMONIUM SULPHATE, 1.2 M LICL), DROXAMIC ACID, 1OOMM SODIUM CITRATE PH 6.3. HANGING DROP 20 C, 3 UL PROTEIN SOLUTION (11 MG/ML IN 20 MM TRIS HCL PH 8.0 + 4MM ACETOHYDROXAMIC ACID) + 3 MICROLITERS PRECIPITANT SOLUTION, pH 6.30 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | urease | 11 (mg/ml) | |
2 | 1 | drop | sodium phosphate | 50 (mM) | |
3 | 1 | drop | 50 (mM) | ||
4 | 1 | drop | Tris-HCl | 20 (mM) | |
5 | 1 | drop | AHA | 4 (mM) | |
6 | 1 | reservoir | 1.2 (M) | ||
7 | 1 | reservoir | sodium citrate | 100 (mM) | |
8 | 1 | reservoir | AHA | 4 (mM) |