2J9O

Structure of PBP-A, L158E mutant

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	2005-04-13
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	86.611, 91.462, 145.585
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.500
R-factor	0.179
Rwork	0.177
R-free	0.21300
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.017
RMSD bond angle	1.646
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.040	0.530
Number of reflections	181250
<I/σ(I)>	17.6	2.4
Completeness [%]	98.1	99.3
Redundancy	3.4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5		HANGING DROP. PROTEIN 7 MG/ML. RESERVOIR, 500 UL HEPES 0.1M PH 7.5, AMMONIUM ACETATE 0.2M, PEG-3350 25% (W/V), NAN3 0.02% (W/V). DROP 1UL PROTEIN AND 1 UL RESERVOIR