5JJC

Crystal Structure of double mutant (Q96A-Y125A) O-Acetyl Serine Sulfhydralase from Brucella abortus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 61
Unit cell lengths	104.820, 104.820, 242.041
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.971 - 2.010
R-factor	0.1702
Rwork	0.168
R-free	0.20810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jis
RMSD bond length	0.009
RMSD bond angle	1.177
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.780	2.080
High resolution limit [Å]	2.010	2.010
Number of reflections	98795
<I/σ(I)>	24.7
Completeness [%]	99.0
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.2	289	sodium phosphate monobasic monohydrate, potassium phosphate dibasic