6L73

Quinolone synthase (AmQNS) from Aegle marmelos Correa

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	2016-03-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	54.320, 59.760, 104.510
Unit cell angles	90.04, 96.86, 92.55

Refinement procedure

Resolution	39.247 - 2.000
R-factor	0.1616
Rwork	0.159
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wd7
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.278	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.147	0.047
Number of reflections	89712	2903
<I/σ(I)>	8.5
Completeness [%]	97.5
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	298	0.2M NaCl, 20% PEG 3350