7CJQ

Structure of DLA-88*001:04

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	80
Detector technology	CCD
Collection date	2014-05-16
Detector	AGILENT EOS CCD
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	89.167, 92.837, 119.244
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.700
R-factor	0.2543
Rwork	0.253
R-free	0.28220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qq3
RMSD bond length	0.004
RMSD bond angle	0.926
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.200
Number of reflections	50958	27541
<I/σ(I)>	7.308
Completeness [%]	97.8
Redundancy	5.5
CC(1/2)		0.507

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	PEG 3350,0.2 M Sodium sulfate decahydrate