5WVM

Crystal structure of baeS cocrystallized with 2 mM indole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	2015-12-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 43 21 2
Unit cell lengths	123.889, 123.889, 139.587
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.329 - 2.900
R-factor	0.2136
Rwork	0.212
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.082
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.329	3.060
High resolution limit [Å]	2.900	2.900
Number of reflections	24756
<I/σ(I)>	10.6	2.5
Completeness [%]	100.0	100
Redundancy	13.2	13.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	Citric Acid: NaOH , 2.0M Ammonium Sulfate