4X68

Crystal Structure of OP0595 complexed with AmpC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-09
Detector	RAYONIX MX225HE
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	74.027, 54.781, 75.667
Unit cell angles	90.00, 90.80, 90.00

Refinement procedure

Resolution	50.000 - 1.680
R-factor	0.2134
Rwork	0.212
R-free	0.24780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wzx
RMSD bond length	0.008
RMSD bond angle	1.165
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.740
High resolution limit [Å]	1.680	3.620	1.680
Rmerge	0.074	0.040	0.564
Total number of observations	246153
Number of reflections	67982
<I/σ(I)>	10.8
Completeness [%]	98.3	99.5	92.5
Redundancy	3.6	3.7	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	PEG 2000 monomethylether, NiCl2