4JKL

Crystal Structure of Streptococcus agalactiae beta-glucuronidase in space group P21212

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-11-29
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	85.001, 198.759, 75.573
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.306 - 2.288
R-factor	0.1769
Rwork	0.174
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.729
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.380
High resolution limit [Å]	2.288	4.960	2.300
Rmerge	0.158	0.076	0.476
Number of reflections	57552
<I/σ(I)>	4.7
Completeness [%]	98.3	99.6	90.9
Redundancy	12.4	14.2	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	20-28% PEG 3350, 0.1-0.3 M KSCN, 0.02% sodium azide, vapor diffusion, hanging drop, temperature 289.15K