5OIZ

Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae in complex with oxacillin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97924
Spacegroup name	P 31 2 1
Unit cell lengths	100.415, 100.415, 189.799
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.540 - 2.700
R-factor	0.21985
Rwork	0.217
R-free	0.28096
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k25
RMSD bond length	0.028
RMSD bond angle	2.596
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.790	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.137	1.140
Rpim	0.078	0.670
Number of reflections	30875	4451
<I/σ(I)>	8.5	1.2
Completeness [%]	99.7	99.9
Redundancy	3.8	3.8
CC(1/2)	0.990	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	2.3-3.0 M NaCl, 0.1 M sodium acetate pH 4.5