1N9K
Crystal structure of the bromide adduct of AphA class B acid phosphatase/phosphotransferase from E. coli at 2.2 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X31 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-05-08 |
Detector | MARRESEARCH |
Wavelength(s) | 0.91957, 0.9204, 0.88561 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 49.499, 92.616, 138.247 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 * - 2.200 |
R-factor | 0.19069 |
Rwork | 0.189 |
R-free | 0.23100 * |
Structure solution method | MAD |
RMSD bond length | 0.030 * |
RMSD bond angle | 1.900 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 * | 2.230 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.092 | 0.330 |
Total number of observations | 256647 * | |
Number of reflections | 32501 * | 1272 * |
<I/σ(I)> | 8 | 3.9 |
Completeness [%] | 98.5 * | 96.6 |
Redundancy | 7.3 * | 7.0 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293 | AphA 6mg/mL, 50 mM Na acetate, 25% PEG 6000 , pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K The crystals of the native enzyme (containing Mg2+ or Zn2+) have been soaked in 1 M solution of NaBr |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | PEG6000 | 17-22 (%) | |
3 | 1 | reservoir | 1 (mM) |