1BUL
6ALPHA-(HYDROXYPROPYL)PENICILLANATE ACYLATED ON NMC-A BETA-LACTAMASE FROM ENTEROBACTER CLOACAE
Experimental procedure
Source type | SYNCHROTRON |
Source details | LURE BEAMLINE DW32 |
Synchrotron site | LURE |
Beamline | DW32 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 1997-10-15 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 77.550, 52.460, 67.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.600 - 1.890 |
R-factor | 0.209 |
Rwork | 0.209 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | THE NMC-A BETA-LACTAMASE STRUCTURE |
RMSD bond length | 0.007 |
RMSD bond angle | 23.300 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((AGROVATA) |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.600 | 1.960 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.046 | 0.098 |
Total number of observations | 81088 * | |
Number of reflections | 22025 | 2019 * |
<I/σ(I)> | 9 | 5.9 |
Completeness [%] | 98.6 | 95 |
Redundancy | 3.7 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 7.5 | 20% (W/V)PEG 1500, 0.200 M MES PH 5.25, 6% (V/V) N-PROPANOL, pH 7.5 |