7XHZ

Crystal structure of SAV2152 from MRSA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2020-07-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97957
Spacegroup name	P 21 2 21
Unit cell lengths	53.610, 63.060, 92.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.760 - 1.920
R-factor	0.1892
Rwork	0.188
R-free	0.21800
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.431
Data scaling software	HKL-2000
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.760	1.980
High resolution limit [Å]	1.920	1.920
Rmerge	0.078
Rmeas	0.085	0.085
Rpim	0.031	0.031
Number of reflections	24669	24669
<I/σ(I)>	14.4	4.85
Completeness [%]	99.9	99.91
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	293	17% PEG 8000, 0.1M CAPS pH 10.5, 0.3M sodium chloride